About Laboratory

Chemoinformatics and Molecular Modeling Laboratory

Chemoinformatics and Molecular Modeling Laboratory was established in 2014. The main purpose of our laboratory is to use data mining tools and variety of molecular modeling technologies for solving practical problems of chemistry.

Researches

The following areas are studied in Chemoinformatics and Molecular Modeling Laboratory:

  • using and development of chemoinformatics and molecular modeling tools for drug design and design of new materials;
  • modeling of organic and metabolic reactions by methods of chemoinformatics: from empirical to predictive chemistry;
  • data mining for translational medicine.

Research work Using and development of chemoinformatics and molecular modeling tools for drug design and design of new materials

The aim of the project: using data mining tools and the variety of molecular modeling technologies for solving practical problems of chemistry.

The task of the project: investigation of the nature of the chemical bonds and...

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Igor Antipin
Head of Laboratory

Doctor of science, Corresponding Member of the Academy of Science of the Russian Federation.

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Alexandre Varnek
Invited researcher

Doctor of science.

Head of Laboratory of Chemoinformatics in University of Strasbourg, professor in University of Strasbourg.

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Alex Tropsha
Invited researcher

Doctor of philosophy.

Associate Dean for Pharmacoinformatics and Data Science.

Adjunct Professor in the Biomedical Engineering and Computer S...

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Igor Baskin
Invited researcher

Doctor of science.

Leading Research Associate of Chair of Polymer and Crystal Physics and Laboratory of Physical Chemistry of Polym...

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Timur Madzhidov
Senior Researcher

Researcher

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Elena Tutubalina
Senior Researcher

to be

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Ramil Nugmanov
Senior Researcher

Data mining, QSPR, WEB.

Assistant lecturer [software engineering, chemoinformatics, data mining]

PhD in Organic Chemistry, thesis title "Synthesis of precursors of self-organizing receptor sy...

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Zulfat Miftahutdinov

PhD student

Ilseyar Alimova

PhD student

Arkadii Lin

PhD student

Valentina Afonina

PhD student

Nail Khafizov

PhD student

Marta Glavastkikh

PhD student

Timur Gimadiev

PhD student