Author of Associative Neural Networks, property-based similarity in space of models, self-learning algorithms for ensemble methods. Development of chemoinformatics tools for QSAR/QSPR, analysis of chemical data, chemical reactions, applicability domain, accuracy of prediction of models, prediction of physico-chemical and biological properties.

Specialties: Chemoinformatics, neuroinformatics, bioinformatics, QSAR/QSPR, applied machine learning methods, ADME/Tox problems.