November 19, 2017
Elena Tutubalina is a Senior Researcher at the Chemoinformatics and Molecular Modeling Laboratory at the Kazan Federal University.
She completed her Ph.D. in Computer Science at the Kazan Federal University in 2016. Her Ph.D. examined product reviews to monitor customer opinions and detect information about functional and usability defects and overall user experience.
Her research interests include information extraction, opinion mining, machine learning, neural networks, and chemoinf...Read More
October 25, 2017
The model predicts the Equilibrium Constant of a Tautomeric Transformation. The value is given in log scale. The data set of 697 tautomeric reactions, collected form the literature1, with the experimental log Kt values in different solvents and at different temperatures had been used. The individual models are built by the SVM method, the best ten of them composed into a web-deployed Consensus Model. The SVM calculation involved 5-fold cross-validation procedure of ten repetitions.