Description
Research areas
Search for new approaches to solving the "structure-property" problem.
The development of a fundamentally new direction in quantum chemistry, based on the study of the topological and geometric structure of the nodal manifolds of wave functions.
Main results
Programs have been developed for computer synthesis, including hierarchical planning of key stages in multistage syntheses, the study of carbocation rearrangements, as well as the classification, enumeration and prediction of new transformations in heterocycles.
Computer search algorithms for organic reactions have been implemented; new interesting reactions have been predicted on their basis.
Created an effective generator of chemical structures.
Computer programs have been developed to identify previously unknown quantitative relationships between structure and activity, as well as to predict compounds with a given level of activity based on various structural descriptors.
