Igor Baskin


Doctor of science.

Leading Research Associate of Chair of Polymer and Crystal Physics and Laboratory of Physical Chemistry of Polymers of Faculty of Physics, Moscow State University.

h-index: 25, citations count: 2245, counted articles: 170) [Provided by SCOPUS API]

List of published articles:

Published Meta Cited Count CiteScore Quartiles
2018-03-01 Assessment of tautomer distribution using the condensed reaction graph approach / T. Gimadiev, T. Madzhidov, R. Nugmanov, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Computer-Aided Molecular Design.— 2018.— P.1-14 [doi] 0 2.70(2017), 3.23(2016), 3.02(2015), 2.84(2014), 2.82(2013), 3.13(2012), 3.17(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2018-01-01 Machine learning methods in computational toxicology / I.I. Baskin // Methods in Molecular Biology.— 2018.— V.1800.— P.119-139 [doi] 0 0.96(2017), 0.76(2016), 0.82(2015), 1.02(2014), 1.17(2013), 1.26(2012), 1.17(2011)
2017-11-01 Energy-Based Neural Networks as a Tool for Harmony-Based Virtual Screening / N.I. Zhokhova, I.I. Baskin // Molecular Informatics.— 2017 [doi] 0 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2017-10-01 Generative Topographic Mapping of Conformational Space / D. Horvath, I.I. Baskin, G. Marcou, A. Varnek // Molecular Informatics.— 2017 [doi] 1 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2017-08-01 Predictive cartography of metal binders using generative topographic mapping / I.I. Baskin, V. Solov'ev, A.A. Bagatur’yants, A. Varnek // Journal of Computer-Aided Molecular Design.— 2017.— V.31.— Is.8.— P.701-714 [doi] 1 2.70(2017), 3.23(2016), 3.02(2015), 2.84(2014), 2.82(2013), 3.13(2012), 3.17(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2017-07-01 Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach / T. Madzhidov, T. Gimadiev, D.A. Malakhova, R. Nugmanov, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Structural Chemistry.— 2017.— V.58.— Is.4.— P.650-656 [doi] 1 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2017-06-03 Empirical and Physics-Based Calculations of Physical-Chemical Properties / E.L. Ratkova, Y.A. Abramov, I.I. Baskin, D.J. Livingstone, M.V. Fedorov, M. Withnall, I.V. Tetko // Comprehensive Medicinal Chemistry III.— 2017.— V.3-8.— P.393-428 [doi] 1
2017-01-01 Artificial intelligence in synthetic chemistry: Achievements and prospects / I.I. Baskin, T. Madzhidov, I.S. Antipin, A. Varnek // Russian Chemical Reviews.— 2017.— V.86.— Is.11.— P.1127-1156 [doi] 1 3.71(2017), 3.81(2016), 3.25(2015), 2.44(2014), 2.24(2013), 2.15(2012), 1.99(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2016-08-02 A renaissance of neural networks in drug discovery / I.I. Baskin, D.A. Winkler, I.V. Tetko // Expert Opinion on Drug Discovery.— 2016.— V.11.— Is.8.— P.785-795 [doi] 27 3.58(2017), 3.50(2016), 3.72(2015), 3.20(2014), 3.30(2013), 2.07(2012), 1.78(2011)
2016-01-01 Visualization of a multidimensional descriptor space / H.A. Gaspar, I.I. Baskin, A. Varnek // ACS Symposium Series.— 2016.— V.1222.— P.243-267 4 0.35(2017), 0.23(2016), 0.17(2015), 0.18(2014) Q4(2017), Q4(2016), Q4(2015), Q4(2014)
2016-01-01 Generative topographic mapping approach to chemical space analysis / H.A. Gaspar, P. Sidorov, D. Horvath, I.I. Baskin, G. Marcou, A. Varnek // ACS Symposium Series.— 2016.— V.1222.— P.211-241 5 0.35(2017), 0.23(2016), 0.17(2015), 0.18(2014) Q4(2017), Q4(2016), Q4(2015), Q4(2014)
2015-11-23 Stargate GTM: Bridging Descriptor and Activity Spaces / H.A. Gaspar, I.I. Baskin, G. Marcou, D. Horvath, A. Varnek // Journal of Chemical Information and Modeling.— 2015.— V.55.— Is.11.— P.2403-2410 [doi] 13 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2015-06-01 GTM-Based QSAR Models and Their Applicability Domains / H.A. Gaspar, I.I. Baskin, G. Marcou, D. Horvath, A. Varnek // Molecular Informatics.— 2015.— V.34.— Is.6-7.— P.348-356 [doi] 22 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2015-03-01 Continuous indicator fields: a novel universal type of molecular fields / G.V. Sitnikov, N.I. Zhokhova, Y.A. Ustynyuk, A. Varnek, I.I. Baskin // Journal of computer-aided molecular design.— 2015.— V.29.— Is.3.— P.233-247 [doi] 2 2.70(2017), 3.23(2016), 3.02(2015), 2.84(2014), 2.82(2013), 3.13(2012), 3.17(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2015-01-26 Chemical data visualization and analysis with incremental generative topographic mapping: Big data challenge / H.A. Gaspar, I.I. Baskin, G. Marcou, D. Horvath, A. Varnek // Journal of Chemical Information and Modeling.— 2015.— V.55.— Is.1.— P.84-94 [doi] 25 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2014-06-26 QSAR modeling: Where have you been? Where are you going to? / A. Cherkasov, E.N. Muratov, D. Fourches, A. Varnek, I.I. Baskin, M. Cronin, J. Dearden, P. Gramatica, Y.C. Martin, R. Todeschini, V. Consonni, V.E. Kuz'min, R. Cramer, R. Benigni, C. Yang, J. Rathman, L. Terfloth, J. Gasteiger, A.M. Richard, A. Tropsha // Journal of Medicinal Chemistry.— 2014.— V.57.— Is.12.— P.4977-5010 [doi] 327 6.25(2017), 6.06(2016), 5.66(2015), 5.55(2014), 5.65(2013), 5.52(2012), 5.48(2011)
2014-03-04 Quantitative structure-property relationship modeling: A valuable support in high-throughput screening quality control / F. Ruggiu, P. Gizzi, J.L. Galzi, M. Hibert, J. Haiech, I.I. Baskin, D. Horvath, G. Marcou, A. Varnek // Analytical Chemistry.— 2014.— V.86.— Is.5.— P.2510-2520 [doi] 11 6.24(2017), 6.08(2016), 6.00(2015), 5.79(2014), 6.01(2013), 5.80(2012), 5.86(2011)
2014-01-01 Development of "structure-property" models in nucleophilic substitution reactions involving azides / R. Nugmanov, T. Madzhidov, G.R. Khaliullina, I.I. Baskin, I.S. Antipin, A. Varnek // Journal of Structural Chemistry.— 2014.— V.55.— Is.6.— P.1026-1032 [doi] 7 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2014-01-01 Structure-reactivity relationships in terms of the condensed graphs of reactions / T. Madzhidov, P. Polishchuk, R. Nugmanov, A. Bodrov, A.I. Lin, I.I. Baskin, A. Varnek, I.S. Antipin // Russian Journal of Organic Chemistry.— 2014.— V.50.— Is.4.— P.459-463 [doi] 11 0.59(2017), 0.60(2016), 0.70(2015), 0.57(2014), 0.45(2013), 0.36(2012), 0.44(2011)
2014-01-01 Continuous molecular fields approach applied to structure-activity modeling / I.I. Baskin, N.I. Zhokhova // Application of Computational Techniques in Pharmacy and Medicine.— 2014.— V.17.— P.433-459 [doi] 0
2013-09-30 Using Chemoinformatics Tools from R / G. Marcou, I.I. Baskin // Data Mining in Drug Discovery.— 2013.— V.57.— P.179-207 [doi] 0
2013-05-01 The continuous molecular fields approach to building 3D-QSAR models / I.I. Baskin, N.I. Zhokhova // Journal of Computer-Aided Molecular Design.— 2013.— V.27.— Is.5.— P.427-442 [doi] 7 2.70(2017), 3.23(2016), 3.02(2015), 2.84(2014), 2.82(2013), 3.13(2012), 3.17(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2013-04-22 Predicting ligand binding modes from neural networks trained on protein-ligand interaction fingerprints / V. Chupakhin, G. Marcou, I.I. Baskin, A. Varnek, D. Rognan // Journal of Chemical Information and Modeling.— 2013.— V.53.— Is.4.— P.763-772 [doi] 22 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2013-03-01 Transductive support vector machines: Promising approach to model small and unbalanced datasets / E. Kondratovich, I.I. Baskin, A. Varnek // Molecular Informatics.— 2013.— V.32.— Is.3.— P.261-266 [doi] 12 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2012-10-01 Combined QSAR studies of inhibitor properties of O-phosphorylated oximes toward serine esterases involved in neurotoxicity, drug metabolism and Alzheimer's disease / G.F. Makhaeva, E.V. Radchenko, I.I. Baskin, V.A. Palyulin, R.J. Richardson, N.S. Zefirov // SAR and QSAR in Environmental Research.— 2012.— V.23.— Is.7-8.— P.627-647 [doi] 21 1.96(2017), 1.57(2016), 1.62(2015), 1.37(2014), 1.94(2013), 1.72(2012), 1.97(2011) Q2(2016)
2012-06-25 Machine learning methods for property prediction in chemoinformatics: Quo Vadis? / A. Varnek, I.I. Baskin // Journal of Chemical Information and Modeling.— 2012.— V.52.— Is.6.— P.1413-1437 [doi] 64 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2012-04-01 Generative Topographic Mapping (GTM): Universal tool for data visualization, structure-activity modeling and dataset comparison / N. Kireeva, I.I. Baskin, H.A. Gaspar, D. Horvath, G. Marcou, A. Varnek // Molecular Informatics.— 2012.— V.31.— Is.3-4.— P.301-312 [doi] 39 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2011-11-15 One-class classification as a novel method of ligand-based virtual screening: The case of glycogen synthase kinase 3β inhibitors / P.V. Karpov, D.I. Osolodkin, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Bioorganic and Medicinal Chemistry Letters.— 2011.— V.21.— Is.22.— P.6728-6731 [doi] 16 2.53(2017), 2.52(2016), 2.55(2015), 2.43(2014), 2.47(2013), 2.49(2012), 2.70(2011)
2011-11-01 Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of S N1 rate constants by means of QSPR / A.A. Kravtsov, P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2011.— V.441.— Is.1.— P.314-317 [doi] 7 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2011-11-01 One-class approach: Models for virtual screening of non-nucleoside HIV-1 reverse transcriptase inhibitors based on the concept of continuous molecular fields / P.V. Karpov, I.I. Baskin, N.I. Zhokhova, M.B. Nawrozkij, A.N. Zefirov, A.S. Yablokov, I.A. Novakov, N.S. Zefirov // Russian Chemical Bulletin.— 2011.— V.60.— Is.11.— P.2418-2424 [doi] 5 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2011-10-01 Prediction of rate constants of S N 2 reactions by the multicomponent QSPR method / A.A. Kravtsov, P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2011.— V.440.— Is.2.— P.299-301 [doi] 7 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2011-10-01 Method of continuous molecular fields in the one-class classification task / P.V. Karpov, I.I. Baskin, N.I. Zhokhova, N.S. Zefirov // Doklady Chemistry.— 2011.— V.440.— Is.2.— P.263-265 [doi] 5 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2011-09-15 Synthesis and SAR requirements of adamantane-colchicine conjugates with both microtubule depolymerizing and tubulin clustering activities / O.N. Zefirova, E.V. Nurieva, D.V. Shishov, I.I. Baskin, F. Fuchs, H. Lemcke, F. Schröder, D.G. Weiss, N.S. Zefirov, S.A. Kuznetsov // Bioorganic and Medicinal Chemistry.— 2011.— V.19.— Is.18.— P.5529-5538 [doi] 23 2.90(2017), 2.96(2016), 3.00(2015), 2.87(2014), 3.08(2013), 3.12(2012), 3.09(2011)
2011-06-01 Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information / I. Sushko, S. Novotarskyi, R. Körner, A.K. Pandey, M. Rupp, W. Teetz, S. Brandmaier, A. Abdelaziz, V.V. Prokopenko, V.Y. Tanchuk, R. Todeschini, A. Varnek, G. Marcou, P. Ertl, V. Potemkin, M. Grishina, J. Gasteiger, C. Schwab, I.I. Baskin, V.A. Palyulin, E.V. Radchenko, W.J. Welsh, V. Kholodovych, D. Chekmarev, A. Cherkasov, J. Aires-De-Sousa, Q.Y. Zhang, A. Bender, F. Nigsch, L. Patiny, A.J. Williams, V. Tkachenko, I.V. Tetko // Journal of Computer-Aided Molecular Design.— 2011.— V.25.— Is.6.— P.533-554 [doi] 144 2.70(2017), 3.23(2016), 3.02(2015), 2.84(2014), 2.82(2013), 3.13(2012), 3.17(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2011-04-26 Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information / I. Sushko, A.K. Pandey, S. Novotarskyi, R. Körner, M. Rupp, W. Teetz, S. Brandmaier, A. Abdelaziz, V.V. Prokopenko, V.Y. Tanchuk, R. Todeschini, A. Varnek, G. Marcou, P. Ertl, V. Potemkin, M. Grishina, J. Gasteiger, I.I. Baskin, V.A. Palyulin, E.V. Radchenko, W.J. Welsh, V. Kholodovych, D. Chekmarev, A. Cherkasov, J. Aires-De-Sousa, Q.Y. Zhang, A. Bender, F. Nigsch, L. Patiny, A.J. Williams, V. Tkachenko, I.V. Tetko // Journal of Cheminformatics.— 2011.— V.3.— Is.SUPPL. 1 [doi] 1
2011-04-01 Virtual screening based on one-class classification / P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2011.— V.437.— Is.2.— P.107-111 [doi] 6 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2011-01-17 Chemoinformatics as a theoretical chemistry discipline / A. Varnek, I.I. Baskin // Molecular Informatics.— 2011.— V.30.— Is.1.— P.20-32 [doi] 40 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2010-12-27 Applicability domains for classification problems: Benchmarking of distance to models for ames mutagenicity set / I. Sushko, S. Novotarskyi, R. Körner, A.K. Pandey, A. Cherkasov, J. Li, P. Gramatica, K. Hansen, T. Schroeter, K.R. Müller, L. Xi, H. Liu, X. Yao, T. Öberg, F. Hormozdiari, P. Dao, C. Sahinalp, R. Todeschini, P. Polishchuk, A. Artemenko, V. Kuz'Min, T.M. Martin, D.M. Young, D. Fourches, E.N. Muratov, A. Tropsha, I.I. Baskin, D. Horvath, G. Marcou, C. Muller, A. Varnek, V.V. Prokopenko, I.V. Tetko // Journal of Chemical Information and Modeling.— 2010.— V.50.— Is.12.— P.2094-2111 [doi] 110 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2010-12-01 Diels-alder reaction as a synthetic approach to bicyclo[3.3.1]nonane colchicine analogs / E.V. Nurieva, I.S. Semenova, V.N. Nuriev, D.V. Shishov, I.I. Baskin, O.N. Zefirova, N.S. Zefirov // Russian Journal of Organic Chemistry.— 2010.— V.46.— Is.12.— P.1892-1895 [doi] 2 0.59(2017), 0.60(2016), 0.70(2015), 0.57(2014), 0.45(2013), 0.36(2012), 0.44(2011)
2010-09-17 The one-class classification approach to data description and to models applicability domain / I.I. Baskin, N. Kireeva, A. Varnek // Molecular Informatics.— 2010.— V.29.— Is.8-9.— P.581-587 [doi] 37 1.86(2017), 1.85(2016), 1.83(2015), 1.58(2014), 2.23(2013), 2.17(2012), 2.13(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q1(2013), Q1(2012), Q1(2011)
2010-09-01 Kinetics and mechanism of inhibition of serine esterases by fluorinated aminophosphonates / G.F. Makhaeva, A.Y. Aksinenko, V.B. Sokolov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov, N.D. Hein, J.W. Kampf, S.J. Wijeyesakere, R.J. Richardson // Chemico-Biological Interactions.— 2010.— V.187.— Is.1-3.— P.177-184 [doi] 16 3.43(2017), 3.26(2016), 3.14(2015), 2.75(2014), 3.30(2013), 3.27(2012), 3.04(2011) Q1(2016)
2010-03-01 Neural network modeling of substituent constants on the basis of fragmental descriptors / M.N. Kurilo, P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2010.— V.431.— Is.1.— P.85-88 [doi] 1 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2010-02-01 Pseudofragmental descriptors based on combinations of atomic properties for prediction of physical properties of polymers in quantitative structure-property relationship studies / N.I. Zhokhova, I.I. Baskin, A.N. Zefirov, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2010.— V.430.— Is.2.— P.39-42 [doi] 2 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2009-11-09 Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry / I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Russian Chemical Reviews.— 2009.— V.78.— Is.6.— P.495-511 [doi] 2 3.71(2017), 3.81(2016), 3.25(2015), 2.44(2014), 2.24(2013), 2.15(2012), 1.99(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2009-11-01 Method of continuous molecular fields in the search for quantitative structure-activity relationships / N.I. Zhokhova, I.I. Baskin, D.K. Bakhronov, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2009.— V.429.— Is.1.— P.273-276 [doi] 5 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2009-07-01 Multilevel approach to the prediction of properties of organic compounds in the framework of the QSAR/QSPR methodology / I.I. Baskin, N.I. Zhokhova, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Doklady Chemistry.— 2009.— V.427.— Is.1.— P.172-175 [doi] 9 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2009-06-22 Modelling the multi-target selectivity: O-phosphorylated oximes as serine hydrolase inhibitors / V.A. Palyulin, E.V. Radchenko, I.I. Baskin, G.F. Makhaeva, N.S. Zefirov // Chemistry Central Journal.— 2009.— V.3.— Is.SUPPL. 1 [doi] 1
2009-06-22 Additive inductive learning in QSAR/QSPR studies and molecular modeling / I.I. Baskin, N.I. Zhokhova, V.A. Palyulin, N.S. Zefirov // Chemistry Central Journal.— 2009.— V.3.— Is.SUPPL. 1 [doi] 1
2009-06-22 Data integration and knowledge transfer: Application to the tissue: Air partition coefficients / C. Gaudin, G. Marcou, P. Vayer, I.V. Tetko, I.I. Baskin, A. Varnek // Chemistry Central Journal.— 2009.— V.3.— Is.SUPPL. 1 [doi] 0
2009-04-01 Fragmental descriptors in (Q)SAR: Prediction of the assignment of organic compounds to pharmacological groups using the support vector machine approach / E. Kondratovich, N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Russian Chemical Bulletin.— 2009.— V.58.— Is.4.— P.657-662 [doi] 3 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2009-01-01 Inductive transfer of knowledge: Application of multi-task learning and Feature Net approaches to model tissue-air partition coefficients / A. Varnek, C. Gaudin, G. Marcou, I.I. Baskin, A.K. Pandey, I.V. Tetko // Journal of Chemical Information and Modeling.— 2009.— V.49.— Is.1.— P.133-144 [doi] 31 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2008-12-01 Neural networks in building QSAR models / I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Methods in Molecular Biology.— 2008.— V.458.— P.137-158 [doi] 31 0.96(2017), 0.76(2016), 0.82(2015), 1.02(2014), 1.17(2013), 1.26(2012), 1.17(2011)
2008-11-01 Erratum to "Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteins" J. Mol. Graph. Model. 26 (7) (2008) 1179-1187 / A.E. Voronkov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Journal of Molecular Graphics and Modelling.— 2008.— V.27.— Is.4.— P.568-569 [doi] 0 1.81(2017), 1.77(2016), 1.87(2015), 1.90(2014), 2.23(2013), 2.28(2012), 2.21(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q2(2013), Q2(2012), Q2(2011)
2008-09-01 Building a chemical space based on fragment descriptors / I.I. Baskin, A. Varnek // Combinatorial Chemistry and High Throughput Screening.— 2008.— V.11.— Is.8.— P.661-668 [doi] 14 0.94(2017), 0.91(2016), 1.11(2015), 1.53(2014), 1.68(2013), 1.90(2012), 1.87(2011) Q3(2017), Q2(2016), Q2(2015), Q2(2014), Q2(2013), Q2(2012), Q2(2011)
2008-04-01 Molecular model of the Wnt protein binding site on the surface of dimeric CRD domain of the hFzd8 receptor / A.E. Voronkov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2008.— V.419.— Is.1.— P.75-78 [doi] 4 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2008-04-01 Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteins / A.E. Voronkov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Journal of Molecular Graphics and Modelling.— 2008.— V.26.— Is.7.— P.1179-1187 [doi] 1 1.81(2017), 1.77(2016), 1.87(2015), 1.90(2014), 2.23(2013), 2.28(2012), 2.21(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q2(2013), Q2(2012), Q2(2011)
2007-12-01 Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Doklady Chemistry.— 2007.— V.417.— Is.2.— P.282-284 [doi] 28 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2007-10-01 Calculation of the stability of β-cyclodextrin complexes of organic compounds using the QSPR approach / N.I. Zhokhova, E.V. Bobkov, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Moscow University Chemistry Bulletin.— 2007.— V.62.— Is.5.— P.269-272 [doi] 1 0.41(2017), 0.23(2016), 0.21(2015), 0.21(2014), 0.09(2013), 0.12(2012), 0.11(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2007-05-01 Exhaustive QSPR studies of a large diverse set of ionic liquids: How accurately can we predict melting points? / A. Varnek, N. Kireeva, I.V. Tetko, I.I. Baskin, V. Solov'ev // Journal of Chemical Information and Modeling.— 2007.— V.47.— Is.3.— P.1111-1122 [doi] 87 3.90(2017), 3.84(2016), 4.27(2015), 3.88(2014), 4.40(2013), 4.22(2012), 4.30(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2007-05-01 "bimolecular" QSPR: Estimation of the solvation free energy of organic molecules in different solvents / A.A. Kravtsov, P.V. Karpov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2007.— V.414.— Is.1.— P.128-131 [doi] 9 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2007-04-01 Intermolecular interactions governing solubilization in micelles of poly(alkylene oxide) surfactants / V.S. Bugrin, M.Y. Kozlov, I.I. Baskin, N.S. Melik-Nubarov // Polymer Science - Series A.— 2007.— V.49.— Is.4.— P.463-472 [doi] 7 0.78(2017), 0.86(2016), 0.78(2015), 0.79(2014), 0.59(2013), 0.60(2012), 0.43(2011)
2007-04-01 Estimation of ionization constants for different classes of organic compounds with the use of the fragmental approach to the search of structure-property relationships / A.A. Ivanova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2007.— V.413.— Is.2.— P.90-94 [doi] 5 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2007-01-01 Molecular modeling of the complex between the XWNT8 protein and the CRD domain of the MFZD8 receptor / A.E. Voronkov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2007.— V.412.— Is.1.— P.8-11 [doi] 1 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2007-01-01 Fragment descriptors in the QSPR method: Their use for calculating the enthalpies of vaporization of organic substances / N.I. Zhokhova, V.A. Palyulin, I.I. Baskin, A.N. Zefirov, N.S. Zefirov // Russian Journal of Physical Chemistry A.— 2007.— V.81.— Is.1.— P.9-12 [doi] 6 0.59(2017), 0.57(2016), 0.54(2015), 0.56(2014), 0.51(2013), 0.36(2012), 0.30(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2006-12-01 Molecular simulation of complexation of β-cyclodextrin and vitamin K3 molecules / E.P. Kazachinskaya, I.I. Baskin, P.A. Mamonov, V.N. Matveenko // Moscow University Chemistry Bulletin.— 2006.— V.61.— Is.4.— P.36-42 0 0.41(2017), 0.23(2016), 0.21(2015), 0.21(2014), 0.09(2013), 0.12(2012), 0.11(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2006-12-01 Molecular simulation of β-cyclodextiun complexation with vitamin K3 / E.P. Kazachinskaya, I.I. Baskin, P.A. Mamonov, V.N. Matveenko // Vestnik Moskovskogo Universiteta Seriya 2 Khimiya.— 2006.— V.47.— Is.4.— P.283-290 0
2006-04-18 Inhibitory antibodies to human angiotensin-converting enzyme: Fine epitope mapping and mechanism of action / O.E. Skirgello, I.V. Balyasnikova, P.V. Binevski, Z.L. Sun, I.I. Baskin, V.A. Palyulin, A.B. Nesterovitch, R.F. Albrecht, O.A. Kost, S.M. Danilov // Biochemistry.— 2006.— V.45.— Is.15.— P.4831-4847 [doi] 30 2.92(2017), 2.80(2016), 3.02(2015), 2.96(2014), 3.28(2013), 3.33(2012), 3.30(2011)
2005-12-22 Role of two chloride-binding sites in functioning of testicular angiotensin-converting enzyme / N.A. Moiseeva, P.V. Binevski, I.I. Baskin, V.A. Palyulin, O.A. Kost // Biokhimiya.— 2005.— V.70.— Is.10.— P.1415-1422 0
2005-12-22 The study of the ligand binding mode to the human melatonin receptor subtypes using the molecular modeling approach / A.E. Voronkov, A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2005.— V.403.— Is.3.— P.409-413 2
2005-11-03 Molecular modeling and molecular dynamics simulation of the human A 2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, L. Piccagli, P.G. Baraldi, N.S. Zefirov // Journal of Medicinal Chemistry.— 2005.— V.48.— Is.22.— P.6813-6820 [doi] 30 6.25(2017), 6.06(2016), 5.66(2015), 5.55(2014), 5.65(2013), 5.52(2012), 5.48(2011)
2005-10-01 Role of two chloride-binding sites in functioning of testicular angiotensin-converting enzyme / N.A. Moiseeva, P.V. Binevski, I.I. Baskin, V.A. Palyulin, O.A. Kost // Biochemistry (Moscow).— 2005.— V.70.— Is.10.— P.1167-1172 [doi] 5 1.76(2017), 1.59(2016), 1.54(2015), 1.33(2014), 1.27(2013), 1.14(2012), 1.22(2011) Q2(2016)
2005-07-01 Molecular modeling study of the mechanism of ligand binding to human melatonin receptors / A.E. Voronkov, A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2005.— V.403.— Is.1-6.— P.284-288 [doi] 7 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2005-06-01 A study of the affinity of dyes for cellulose fiber within the framework of a fragment approach in QSPR / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Russian Journal of Applied Chemistry.— 2005.— V.78.— Is.6.— P.1013-1017 [doi] 5 0.50(2017), 0.41(2016), 0.35(2015), 0.30(2014), 0.19(2013), 0.16(2012), 0.15(2011) Q3(2017), Q3(2016), Q3(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2004-12-01 A generalization of linear integral representation method which is of principle importance for gravimetry and magnetometry. On finding high-accuracy approximate solutions of a set of linear algebraic equation systems with precise right-hand sides / V.N. Strakhov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2004.— V.397.— Is.5.— P.689-693 0
2004-12-01 Molecular modeling of N-terminal domains of NMDA-receptor. Study of ligand binding with N-terminal domains / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2004.— V.397.— Is.4.— P.549-557 2
2004-12-01 A generalization of linear integral representation method which is of principle importance for gravimetry and magnetometry. Right-hand side filtration in linear algebraic equation systems (SLAE). Conclusions / V.N. Strakhov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2004.— V.397.— Is.6.— P.818-822 0
2004-11-25 3D-model of the NMDA receptor ion channel, qualitative and quantitative modeling of binding of channel blockers / I.G. Tikhonova, I.I. Baskin, V.A. Polyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2004.— V.396.— Is.4.— P.551-556 2
2004-10-27 The investigation of the binding mode of the human ML1A melatonin receptor ligands using the molecular modeling approach / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2004.— V.394.— Is.6.— P.822-825 3
2004-07-01 Fragment descriptors in QSPR: Application to magnetic susceptibility calculations / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Journal of Structural Chemistry.— 2004.— V.45.— Is.4.— P.626-635 [doi] 4 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2004-07-01 Molecular modeling of N-terminal domains of NMDA-receptor. Study of ligand binding to N-terminal domains / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2004.— V.397.— Is.1-6.— P.242-250 [doi] 3 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2004-06-01 Virtual screening of organic molecule databases. Design of focused libraries of potential ligands of NMDA and AMPA receptors / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Russian Chemical Bulletin.— 2004.— V.53.— Is.6.— P.1335-1344 [doi] 5 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2004-05-01 3D-model of the ion channel of NMDA receptor: Qualitative and quantitative modeling of the blocker binding / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2004.— V.396.— Is.1-6.— P.181-186 [doi] 5 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2004-01-01 The study of the mechanism of binding of human ML1A melatonin receptor ligands using molecular modeling / A.A. Ivanov, A.E. Voronkov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Biochemistry and Biophysics.— 2004.— V.394.— Is.1-6.— P.49-52 [doi] 7 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2003-12-01 Calculation of the enthalpy of sublimation by the QSPR method with the use of a fragment approach / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Russian Journal of Applied Chemistry.— 2003.— V.76.— Is.12.— P.1914-1919 [doi] 5 0.50(2017), 0.41(2016), 0.35(2015), 0.30(2014), 0.19(2013), 0.16(2012), 0.15(2011) Q3(2017), Q3(2016), Q3(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
2003-09-11 Selectivity fields: Comparative molecular field analysis (CoMFA) of the glycine/NMDA and AMPA receptors / I.I. Baskin, I.G. Tikhonova, V.A. Palyulin, N.S. Zefirov // Journal of Medicinal Chemistry.— 2003.— V.46.— Is.19.— P.4063-4069 [doi] 32 6.25(2017), 6.06(2016), 5.66(2015), 5.55(2014), 5.65(2013), 5.52(2012), 5.48(2011)
2003-09-01 Structure-functional features of homologous domains of angiotensin-converting enzyme / S.V. Voronov, P.V. Bineskiǐ, N.A. Zueva, V.A. Palyulin, I.I. Baskin, M.A. Orlova, O.A. Kost // Bioorganicheskaia khimiia.— 2003.— V.29.— Is.5.— P.470-478 0 0.17(2016), 0.20(2015), 0.17(2014), 0.21(2013), 0.30(2012), 0.30(2011) Q4(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2003-09-01 Structural and Functional Peculiarities of Homologous Domains of Angiotensin-Converting Enzyme / S.V. Voronov, P.V. Binevski, N.A. Zueva, V.A. Palyulin, I.I. Baskin, M.A. Orlova, O.A. Kost // Russian Journal of Bioorganic Chemistry.— 2003.— V.29.— Is.5.— P.426-433 [doi] 0 0.74(2017), 0.57(2016), 0.59(2015), 0.41(2014), 0.46(2013), 0.33(2012), 0.36(2011)
2003-09-01 Fragmental descriptors in QSPR: Flash point calculations / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Russian Chemical Bulletin.— 2003.— V.52.— Is.9.— P.1885-1892 [doi] 19 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2003-08-08 Novel photoswitchable receptors: Synthesis and cation-induced self-assembly into dimeric complexes leading to stereospecific [2+2]-photocycloaddition of styryl dyes containing a 15-crown-5 ether unit / S.P. Gromov, E.N. Ushakov, O.A. Fedorova, I.I. Baskin, A.V. Buevich, E.N. Andryukhina, M.V. Alfimov, D. Johnels, U.G. Edlund, J.K. Whitesell, M.A. Fox // Journal of Organic Chemistry.— 2003.— V.68.— Is.16.— P.6115-6125 [doi] 49 4.55(2017), 4.59(2016), 4.69(2015), 4.69(2014), 4.51(2013), 4.31(2012), 4.43(2011)
2003-07-01 Neural networks as a method for elucidating structure-property relationships for organic compounds / N.M. Halberstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Russian Chemical Reviews.— 2003.— V.72.— Is.7.— P.629-649 [doi] 15 3.71(2017), 3.81(2016), 3.25(2015), 2.44(2014), 2.24(2013), 2.15(2012), 1.99(2011) Q1(2017), Q1(2016), Q1(2015), Q1(2014), Q1(2013), Q1(2012), Q1(2011)
2003-05-01 Fragmental descriptors in QSPR: Application to molecular polarizability calculations / N.I. Zhokhova, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov // Russian Chemical Bulletin.— 2003.— V.52.— Is.5.— P.1061-1065 [doi] 12 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2003-04-24 CoMFA and homology-based models of the glycine binding site of N-methyl-D-aspartate receptor / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Journal of Medicinal Chemistry.— 2003.— V.46.— Is.9.— P.1609-1616 [doi] 24 6.25(2017), 6.06(2016), 5.66(2015), 5.55(2014), 5.65(2013), 5.52(2012), 5.48(2011)
2003-03-01 A quantitative model of ligand binding to the glutamate site of the GluR2 subunit of AMPA receptor. / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2003.— V.389.— P.75-78 0 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2003-03-01 Molecular modeling of the human A2a adenosine receptor. / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2003.— V.389.— P.94-97 8 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2003-01-01 Molecular model building of the human A2a adenosine receptor / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2003.— V.389.— Is.3.— P.404-408 3
2003-01-01 Quantitative model of ligand binding with the glutamate site of AMPA-receptor GluR2 subunit / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2003.— V.389.— Is.1.— P.123-127 4
2003-01-01 Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds / N.V. Artemenko, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Russian Chemical Bulletin.— 2003.— V.52.— Is.1.— P.20-29 [doi] 20 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
2003-01-01 Neural networks as a method for elucidating structure-property relationships for organic compounds / N.M. Halberstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Uspekhi Khimii.— 2003.— V.72.— Is.7.— P.706 11
2002-12-01 Construction of neural-network structure-conditions-property relationships: Modeling of the physicochemical properties of hydrocarbons / N.M. Halberstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2002.— V.384.— Is.1-3.— P.140-143 [doi] 7 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2002-12-01 Molecular modeling of the amino-terminal domain of the mGluR1 glutamate metabotropic receptor by the threading method / M.S. Belenikin, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2002.— V.383.— Is.4-6.— P.97-101 [doi] 0 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2002-09-01 Molecular modeling the human A1 adenosine receptor and study of the mechanisms of its selective ligand binding. / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.386.— P.271-274 8 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-08-29 Structural basis for understanding structure-activity relationships for the glutamate binding site of the NMDA receptor / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov, S.O. Bachurin // Journal of Medicinal Chemistry.— 2002.— V.45.— Is.18.— P.3836-3843 [doi] 23 6.25(2017), 6.06(2016), 5.66(2015), 5.55(2014), 5.65(2013), 5.52(2012), 5.48(2011)
2002-05-01 A new binding mode of competitive antagonists to metabotropic glutamate receptors exemplified by the mGluR1-receptor antagonist AIDA (RS-aminoindan-1,5-dicarboxylic acid). / M.S. Belenikin, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.384.— P.131-135 0 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-01-01 Molecular modelling of the human A2b adenosine receptor and an analysis of the binding modes of its selective ligands / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, P.G. Baraldi, N.S. Zefirov // Mendeleev Communications.— 2002.— V.12.— Is.6.— P.211-212 10 1.85(2017), 1.66(2016), 1.34(2015), 1.44(2014), 1.20(2013), 0.96(2012), 0.89(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q2(2013), Q2(2012), Q3(2011)
2002-01-01 Quantitative structure-conditions-property relationship studies. Neural network modelling of the acid hydrolysis of esters / N.M. Halberstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Mendeleev Communications.— 2002.— V.12.— Is.5.— P.185-186 15 1.85(2017), 1.66(2016), 1.34(2015), 1.44(2014), 1.20(2013), 0.96(2012), 0.89(2011) Q2(2017), Q2(2016), Q2(2015), Q2(2014), Q2(2013), Q2(2012), Q3(2011)
2002-01-01 Computer simulation of the three-dimensional structure of the glutamate site of the NR2B subunit of the NMDA receptor. / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.382.— P.38-41 3 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-01-01 A spatial model of the glycine site of the NR1 subunit of NMDA-receptor and ligand docking. / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.382.— P.67-70 3 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-01-01 A new technique for coding chemical structures based on basis fragments / M.I. Skvortsova, K.S. Fedyaev, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 2002.— V.382.— Is.4-6.— P.33-36 [doi] 1 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2002-01-01 Molecular modeling of the human A1 adenosine receptor and analysis of the binding mechanisms of its selective ligands / A.A. Ivanov, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.386.— Is.4.— P.548-552 3
2002-01-01 Molecular modeling of the closed forms of the kainate-binding domains of kainate receptors and qualitative analysis of the structure-activity relationships for some agonists / M.S. Belenikin, I.I. Baskin, G. Costantino, V.A. Palyulin, R. Pellicciari, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.386.— P.239-244 [doi] 2 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-01-01 Construction of 3d-models of NMDA-receptor NR1-submit glycine site and docking of ligands / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.382.— Is.6.— P.840-844 5
2002-01-01 Molecular modeling of closed forms of kainate reseptor kainite binding domains and qualitative structure-activity relationships study for a series of agonists / M.S. Belenikin, I.I. Baskin, G. Costantino, V.A. Palyulin, R. Pellicciari, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.386.— Is.1.— P.118-124 0
2002-01-01 New binding mode of competitive antagonists of metabotripic glutamate reception exemplified by the mGluR1 receptor antagonist AIDA (RS-aminoindan-1,5-dicarboxylic acid) / M.S. Belenikin, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.384.— Is.1.— P.113-119 2
2002-01-01 Comparative analysis of the ligand-binding sites of the metabotropic glutamate receptors mGluR1-mGluR8 / M.S. Belenikin, I.I. Baskin, G. Costantino, V.A. Palyulin, R. Pellicciari, N.S. Zefirov // Doklady. Biochemistry and biophysics.— 2002.— V.386.— P.251-256 [doi] 2 0.60(2017), 0.49(2016), 0.41(2015), 0.38(2014), 0.37(2013), 0.33(2012), 0.36(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q2(2013), Q3(2012), Q2(2011)
2002-01-01 Neutral network structure-conditions-properties relationships. Modeling of physico-chemical properties of hydrocarbons / N.M. Gal'bershtam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.384.— Is.2.— P.202-206 1
2002-01-01 Comparative analysis of ligand-binding sites of metabotropic glutamate receptors mGluR1-mGluR8 / M.S. Belenikin, I.I. Baskin, G. Costantino, V.A. Palyulin, R. Pellicciari, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.386.— Is.2.— P.261-267 2
2002-01-01 New method for chemical structure coding with the use of basic fragments / M.I. Skvortsova, K.S. Fedyaev, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.382.— Is.5.— P.645-649 1
2002-01-01 Molecular modeling of the amino-terminal domains of the metabotropic glutamate receptor mGluR1 by treading method / M.S. Belenkin, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.383.— Is.5.— P.643-648 2
2002-01-01 An approach to the interpretation of backpropagation neural network models in QSAR studies / I.I. Baskin, A.O. Ait, N.M. Halberstam, V.A. Palyulin, N.S. Zefirov // SAR and QSAR in environmental research.— 2002.— V.13.— Is.1.— P.35-41 [doi] 44 1.96(2017), 1.57(2016), 1.62(2015), 1.37(2014), 1.94(2013), 1.72(2012), 1.97(2011) Q2(2016)
2002-01-01 Computer-aided modeling of 3D structure of glutamate site of NMDA receptor NR2B subunit / I.G. Tikhonova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2002.— V.382.— Is.4.— P.550-554 6
2001-12-01 Prediction of physical properties of organic compounds by artificial neural networks in the framework of substructural approach / N.V. Artemenko, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 2001.— V.381.— Is.2.— P.203-207 13
2001-12-01 The biological function of a fragment of the neurotrophic factor from pigment epithelium: Structural and functional homology with the differentiation factor of the HL-60 cell line / I.A. Kostanyan, S.S. Zhokhov, M.V. Astapova, S.M. Dranitsyna, A.P. Bogachuk, L.K. Baidakova, I.L. Rodionov, I.I. Baskin, O.N. Golubeva, J. Tombran-Tink, V.M. Lipkin // Bioorganicheskaya Khimiya.— 2001.— V.26.— Is.8.— P.569-570 0 0.17(2016), 0.20(2015), 0.17(2014), 0.21(2013), 0.30(2012), 0.30(2011) Q4(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2001-09-11 Computer-aided prediction of the mutagenic activity of substituted polycyclic compounds / I.K. Lyubimova, S.K. Abilev, N.M. Gal'berstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Biology Bulletin.— 2001.— V.28.— Is.2.— P.139-145 [doi] 2 0.46(2017), 0.38(2016), 0.37(2015), 0.32(2014), 0.32(2013), 0.27(2012), 0.21(2011)
2001-01-01 Neuroprotective and cognition-enhancing properties of MK-801 flexible analogs: Structure-activity relationships / S.O. Bachurin, S. Tkachenko, I.I. Baskin, N. Lermontova, T. Mukhina, L. Petrova, A. Ustinov, A. Proshin, V. Grigoriev, N. Lukoyanov, V.A. Palyulin, N.S. Zefirov // Annals of the New York Academy of Sciences.— 2001.— V.939.— P.219-236 31 4.59(2017), 4.42(2016), 4.42(2015), 4.37(2014), 4.56(2013), 3.61(2012), 3.41(2011)
2001-01-01 The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networks / I.I. Baskin, N.M. Halberstam, T. Mukhina, V.A. Palyulin, N.S. Zefirov // SAR and QSAR in environmental research.— 2001.— V.12.— Is.4.— P.401-416 [doi] 6 1.96(2017), 1.57(2016), 1.62(2015), 1.37(2014), 1.94(2013), 1.72(2012), 1.97(2011) Q2(2016)
2001-01-01 Computer-aided prediction of the mutagenic activity substituted polycyclic compounds / I.K. Liubimova, S.K. Abilev, N.M. Gal'berstam, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Izvestiia Akademii nauk. Seriia biologicheskaia / Rossiiskaia akademiia nauk.— 2001.— Is.2.— P.180-186 1 0.12(2017), 0.05(2016), 0.07(2015), 0.07(2014), 0.06(2013), 0.09(2012), 0.17(2011) Q3(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q3(2012), Q3(2011)
2001-01-01 Prediction of physical properties of organic compounds using artificial neural networks within the substructure approach / N.V. Artemenko, I.I. Baskin, V.A. Palyulin, A.N.S. Zefirov // Doklady Chemistry.— 2001.— V.381.— Is.1-3.— P.317-320 [doi] 25 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2000-12-01 The biological function of a fragment of the neurotrophic factor from pigment epithelium: Structural and functional homology with the differentiation factor of the HL-60 cell line / I.A. Kostanyan, S.S. Zhokhov, M.V. Astapova, S.M. Dranitsyna, A.P. Bogachuk, L.K. Baidakova, I.L. Rodionov, I.I. Baskin, O.N. Golubeva, J. Tombran-Tink, V.M. Lipkin // Bioorganicheskaya Khimiya.— 2000.— V.26.— Is.8.— P.563-570 1 0.17(2016), 0.20(2015), 0.17(2014), 0.21(2013), 0.30(2012), 0.30(2011) Q4(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2000-09-01 Molecular modeling of the amino-terminal domain of the metabotropic glutamate receptor mGluR1 / I.I. Baskin, M.S. Belenikin, E.V. Ekimova, G. Costantino, V.A. Palyulin, R. Pellicciari, N.S. Zefirov // Doklady Chemistry.— 2000.— V.374.— Is.1-3.— P.191-194 1 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
2000-08-01 The biological function of a fragment of the neurotrophic factor from pigment epithelium: Structural and functional homology with the differentiation factor of the HL-60 cell line / I.A. Kostanyan, S.S. Zhokhov, M.V. Astapova, S.M. Dranitsyna, A.P. Bogachuk, L.K. Baidakova, I.L. Rodionov, I.I. Baskin, O.N. Golubeva, J. Tombran-Tink, V.M. Lipkin // Russian Journal of Bioorganic Chemistry.— 2000.— V.26.— Is.8.— P.505-511 1 0.74(2017), 0.57(2016), 0.59(2015), 0.41(2014), 0.46(2013), 0.33(2012), 0.36(2011)
1999-12-01 Application of the artificial neuron nets to the chemical and biochemical investigations / I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Vestnik Moskovskogo Universiteta Seriya 2 Khimiya.— 1999.— V.40.— Is.5.— P.323-326 1
1999-07-01 Photoswitchable molecular pincers: Synthesis, self-assembly into sandwich complexes and ion-selective intramolecular [2+2]-photocycloaddition of an unsaturated bis-15-crown-5 ether / S.P. Gromov, O.A. Fedorova, E.N. Ushakov, A.V. Buevich, I.I. Baskin, Y.V. Pershina, B. Eliasson, U.G. Edlund, M.V. Alfimov // Journal of the Chemical Society. Perkin Transactions 2.— 1999.— Is.7.— P.1323-1329 48
1999-06-25 Chemical graphs and their basis invariants / M.I. Skvortsova, I.I. Baskin, L.A. Skvortsov, V.A. Palyulin, N.S. Zefirov, I.V. Stankevich // Journal of Molecular Structure: THEOCHEM.— 1999.— V.466.— Is.1-3.— P.211-217 16
1999-03-01 Crown-containing styryl dyes: Cation-induced self-assembly of multiphotochromic 15-crown-5 ethers into photoswitchable molecular devices / E.N. Ushakov, S.P. Gromov, A.V. Buevich, I.I. Baskin, O.A. Fedorova, A.I. Vedernikov, M.V. Alfimov, B. Eliasson, U.G. Edlund // Journal of the Chemical Society. Perkin Transactions 2.— 1999.— Is.3.— P.601-607 34
1998-11-01 Crown ether styryl dyes 25. application of molecular mechanics to the study of self-organization into dimeric complexes, regio-, and stereoselectivity of cation-dependent [2+2]-photocycloaddition in photochromic crown ethers* / A.Y. Freidzon, I.I. Baskin, A.A. Bagatur'yants, S.P. Gromov, M.V. Alfimov // Russian Chemical Bulletin.— 1998.— V.47.— Is.11.— P.2117-2123 8 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
1998-01-01 Molecular similarity. 1. Analytical description of the set of graph similarity measures / M.I. Skvortsova, I.I. Baskin, I.V. Stankevich, V.A. Palyulin, N.S. Zefirov // Journal of Chemical Information and Computer Sciences.— 1998.— V.38.— Is.5.— P.785-790 23
1998-01-01 Crown ether styryl dyes 24. Synthesis of multiphotochromic 15-crown-5 ethers with rigid spacers, their anion-"capped" complexes, and stereospecific [2+2] autophotocycloaddition* / S.P. Gromov, O.A. Fedorova, E.N. Ushakov, I.I. Baskin, A.V. Lindeman, E.V. Malysheva, T.A. Balashova, A.S. Arsen'ev, M.V. Alfimov // Russian Chemical Bulletin.— 1998.— V.47.— Is.1.— P.97-106 9 0.60(2016), 0.62(2015), 0.47(2014), 0.45(2013), 0.28(2012), 0.28(2011) Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q4(2012), Q3(2011)
1997-12-01 Spectral data base on photochromic organic compounds / A.O. Ait, V.A. Barachevsky, M.V. Alflmov, I.I. Baskin // Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals.— 1997.— V.297-298.— P.271-275 2
1997-12-01 The use of artificial neural networks for predicting properties of complex molecular systems. Prediction of the long-wave absorption band of symmetrical cyane dyes / I.I. Baskin, A.O. Ait, N.M. Halberstam, V.A. Palyulin, M.V. Alfimov, N.S. Zefirov // Doklady Akademii Nauk.— 1997.— V.357.— Is.1.— P.57-59 5
1997-12-01 Computer study of relationships between embryotoxicity and the structure of synthetic analogues of biogenic amines / I.I. Baskin // Biology Bulletin.— 1997.— V.24.— Is.4.— P.327-333 0 0.46(2017), 0.38(2016), 0.37(2015), 0.32(2014), 0.32(2013), 0.27(2012), 0.21(2011)
1997-12-01 Inverse problem in structure - property relationships studies for the case of informational topological indices / M.I. Skvortsova, O.L. Slovokhotova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 1997.— V.357.— Is.1.— P.72-74 2
1997-11-01 Application of methodology of artificial neural networks for predicting the properties of sophisticated molecular systems: Prediction of the long-wave absorption band position for symmetric cyanine dyes / I.I. Baskin, A.O. Ait, N.M. Halberstam, V.A. Palyulin, M.V. Alfimov, N.S. Zefirov // Doklady Physical Chemistry.— 1997.— V.357.— Is.1-3.— P.353-355 2 0.59(2017), 0.52(2016), 0.55(2015), 0.67(2014), 0.45(2013), 0.44(2012), 0.31(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
1997-11-01 Inverse problem in the structure-property relationship analysis for the case of information topological indices / M.I. Skvortsova, O.L. Slovokhotova, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 1997.— V.357.— Is.1-3.— P.252-254 0 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
1997-01-01 A neural device for searching direct correlations between structures and properties of chemical compounds / I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Journal of Chemical Information and Computer Sciences.— 1997.— V.37.— Is.4.— P.715-721 36
1997-01-01 A computer study of the relationship between the value and type of their embryotoxicity and the structure of synthetic analogs of biogenic amines / I.I. Baskin, G.A. Buznikov, A.S. Kabankin, M.A. Landau, L.A. Leksina, A.A. Ordukhanian, V.A. Palyulin, D.E. Petelin // Izvestiia Akademii nauk. Seriia biologicheskaia / Rossiiskaia akademiia nauk.— 1997.— Is.4.— P.407-413 0 0.12(2017), 0.05(2016), 0.07(2015), 0.07(2014), 0.06(2013), 0.09(2012), 0.17(2011) Q3(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q3(2012), Q3(2011)
1996-12-01 The inverse problem in qsar/qspr-studies for the case of a correlation equation containing arbitrary topological descriptors / M.I. Skvortsova, I.I. Baskin, O.L. Slovokhotova, I.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 1996.— V.346.— Is.4.— P.497-500 3
1996-12-01 Analytical desription of the set of metric similarity measures of molecular graphs / M.I. Skvortsova, I.V. Stankevich, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 1996.— V.350.— Is.6.— P.786-788 4
1996-12-01 Structure octane numbers of hydrocarbons relationships studies / A.V. Sidorova, I.I. Baskin, D.S. Petelin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii Nauk.— 1996.— V.350.— Is.5.— P.642-646 5
1996-12-01 On a construction means of linear equations of structure-property connection / M.I. Skvortsova, I.I. Baskin, I.V. Stankevich, N.S. Zefirov // Doklady Akademii Nauk.— 1996.— V.351.— Is.1.— P.78-80 1
1996-12-01 Development of data base on the structure and properties of organic photochromic compounds / V.A. Barachevskii, A.O. Ait, I.I. Baskin, M.V. Alfimov // Zhurnal Nauchnoi I Prikladnoi Fotografii.— 1996.— V.41.— Is.4.— P.44-51 1
1996-11-01 On a method for the construction of linear equations for the structure-property relationship / M.I. Skvortsova, I.I. Baskin, I.V. Stankevich, N.S. Zefirov // Doklady Chemistry.— 1996.— V.351.— Is.1-3.— P.287-289 0 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
1996-10-01 Analytical description of the set of metric measures of similarity of molecular graphs / M.I. Skvortsova, I.V. Stankevich, I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 1996.— V.350.— Is.4-6.— P.267-269 0 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
1996-10-01 A study of correlations between the structures and octane numbers of hydrocarbons / A.V. Sidorova, I.I. Baskin, D.E. Petelin, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 1996.— V.350.— Is.4-6.— P.254-258 5 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
1996-02-01 The inverse problem of the structure-property relationship problem in the case of the correlation equation with arbitrary topological descriptors / M.I. Skvortsova, I.I. Baskin, O.L. Slovokhotova, V.A. Palyulin, N.S. Zefirov // Doklady Chemistry.— 1996.— V.346.— Is.4-6.— P.37-40 2 0.60(2017), 0.66(2016), 0.51(2015), 0.51(2014), 0.36(2013), 0.35(2012), 0.39(2011) Q3(2017), Q3(2016), Q3(2015), Q3(2014), Q3(2013), Q3(2012), Q3(2011)
1995-01-01 On the Basis of Invariants of Labeled Molecular Graphs / I.I. Baskin, M.I. Skvortsova, I.V. Stankevich, N.S. Zefirov // Journal of Chemical Information and Computer Sciences.— 1995.— V.35.— Is.3.— P.527-531 [doi] 45
1994-11-01 On the basis of invariants of labeled graphs / I.I. Baskin, M.I. Skvortsova, I.V. Stankevich, N.S. Zefirov // Izvestiya Akademii Nauk. Mekhanika Zhidkosti I Gaza.— 1994.— Is.6.— P.346-350 11
1994-11-01 The quantitative relation between the mutagenic activity of heterocyclic analogs of pyrene and phenanthrene and their structure / I.I. Baskin, I.K. Liubimova, S.K. Abilev, V.A. Palyulin, N.S. Zefirom // Doklady Akademii nauk / [Rossiiskaia akademii nauk].— 1994.— V.339.— Is.1.— P.106-108 5
1994-09-01 Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices / I.V. Stankevich, E.G. Gal'pern, A.L. Chistyakov, I.I. Baskin, M.I. Skvortsova, N.S. Zefirov, O.B. Tomilin // Journal of Chemical Information and Computer Sciences.— 1994.— V.34.— Is.5.— P.1105-1108 [doi] 1
1994-07-01 SYMBEQ Program and Its Application in Computer-Assisted Reaction Design / N.S. Zefirov, I.I. Baskin, V.A. Palyulin // Journal of Chemical Information and Computer Sciences.— 1994.— V.34.— Is.4.— P.994-999 [doi] 18
1994-06-01 Methodology for construction of general model of ″structure-property″ relationship on topological level / M.I. Skvortsova, I.I. Baskin, O.L. Slovokhotova, N.S. Zefirov // Doklady Akademii Nauk.— 1994.— V.336.— Is.4.— P.496-499 8
1993-12-01 SYMBEQ program and its application in computer-assisted reaction design / N.S. Zefirov, I.I. Baskin, V.A. Palyulin // Journal of Chemical Information and Computer Sciences.— 1993.— V.33.— Is.4.— P.994-999 0
1993-11-01 A methodology for searching direct correlations between structure and properties of organic compounds using computational neural networks / I.I. Baskin, V.A. Palyulin, N.S. Zefirov // Doklady Akademii nauk SSSR.— 1993.— V.333.— Is.2.— P.176-179 8
1993-11-01 New descriptors of molecular structure to describe reactivity of mercaptobenzothiazole-2-sulphenamide derivatives / S.M. Kavun, D.E. Petelin, V.A. Palyulin, I.I. Baskin, Y.M. Genkina, I.G. Tsybko, N.S. Zefirov // Doklady Akademii nauk SSSR.— 1993.— V.333.— Is.2.— P.189-192 4
1993-03-01 Molecular modeling of the influence of complex formation on the conformation and electronic absorption spectra of crown-containing styryl dyes / I.I. Baskin, K.Y. Burshtein, A.A. Bagatur'yants, S.P. Gromov, M.V. Alfimov // Journal of Structural Chemistry.— 1993.— V.34.— Is.2.— P.208-213 [doi] 1 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
1993-01-01 Inverse Problem in QSAR/QSPR Studies for the Case of Topological Indices Characterizing Molecular Shape (Kier Indices) / M.I. Skvortsova, I.I. Baskin, O.L. Slovokhotova, V.A. Palyulin, N.S. Zefirov // Journal of Chemical Information and Computer Sciences.— 1993.— V.33.— Is.4.— P.630-634 [doi] 75
1992-11-26 Molecular simulation of the complexation effects on conformations and electronic absorption spectra of crown ether styryl dyes / I.I. Baskin, K.Y. Burshtein, A.A. Bagatur'yants, S.P. Gromov, M.V. Alfimov // Journal of Molecular Structure.— 1992.— V.274.— Is.C.— P.93-104 [doi] 27 1.94(2017), 1.58(2016), 1.70(2015), 1.58(2014), 1.64(2013), 1.49(2012), 1.65(2011)
1992-07-01 Molecular simulation of conformations and electron absorption spectra of crown ether styryl dyes and their complexes with metal cations / I.I. Baskin, K.Y. Burshtejn, A.A. Bagatur'yants, S.I. Gromov, M.V. Alfimov // Doklady Akademii nauk SSSR.— 1992.— V.325.— Is.2.— P.306-310 10
1992-02-01 MOBY. Version 1.41 / N.S. Zefirov, I.I. Baskin // Journal of Chemical Information and Computer Sciences.— 1992.— V.32.— Is.3.— P.260-261 [doi] 0
1989-11-01 A program set for finding structure-property correlations using topological indices / I.I. Baskin, M.I. Stankevich, R.O. Devdariani, N.S. Zefirov // Journal of Structural Chemistry.— 1989.— V.30.— Is.6.— P.995-997 [doi] 0 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)
1987-11-01 Automated search for structural fragments. Algorithm and program / M.I. Stankevich, I.I. Baskin, N.S. Zefirov // Journal of Structural Chemistry.— 1987.— V.28.— Is.6.— P.935-936 [doi] 0 0.51(2017), 0.45(2016), 0.49(2015), 0.47(2014), 0.46(2013), 0.45(2012), 0.41(2011) Q4(2017), Q4(2016), Q4(2015), Q4(2014), Q4(2013), Q4(2012), Q4(2011)

December 01, 2017 at 14:34. Ramil Nugmanov