Structure-reactivity modeling using mixture-based representation of chemical reactions. - Pavel G. Polishchuk; Timur I. Madzhidov; Timur Gimadiev; Andrey Bodrov; Ramil I. Nugmanov; Alexandre Varnek (J. Comput. Aided Mol. Des., 2017)

Assessment of tautomer distribution using the condensed reaction graph approach. - Timur Gimadiev; Timur I. Madzhidov; Ramil I. Nugmanov; Igor I. Baskin; Igor S. Antipin; Alexandre Varnek (J. Comput. Aided Mol. Des., 2018)

CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing. - Ramil I. Nugmanov; Ravil N. Mukhametgaleev; Tagir Akhmetshin; Timur Gimadiev; Valentina A. Afonina; Timur I. Madzhidov; Alexandre Varnek (J. Chem. Inf. Model., 2019)

Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules. - Dmitry V. Zankov; Timur I. Madzhidov; Asima I. Rakhimbekova; Timur Gimadiev; Ramil I. Nugmanov; Marina A. Kazymova; Igor I. Baskin; Alexandre Varnek (J. Chem. Inf. Model., 2019)

Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data. - Timur Gimadiev; Ramil I. Nugmanov; Dinar Batyrshin; Timur I. Madzhidov; Satoshi Maeda; Pavel Sidorov; Alexandre Varnek (J. Chem. Inf. Model., 2021)

CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. - Timur Gimadiev; Ramil I. Nugmanov; Aigul Khakimova; Adeliya Fatykhova; Timur I. Madzhidov; Pavel Sidorov; Alexandre Varnek (J. Chem. Inf. Model., 2022)

Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization. - Vladimir Kondratyev; Marian Dryzhakov; Timur Gimadiev; Dmitriy Slutskiy (J. Cheminformatics, 2023)