Timur I. Madzhidov

15 papers Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
SynPlanner: An End-to-End Tool for Synthesis Planning.
J. Chem. Inf. Model.
Tagir Akhmetshin, Dmitry V. Zankov, Philippe Gantzer, Dmitry Babadeev, Anna Pinigina, Timur I. Madzhidov, Alexandre Varnek
2023 J jnl
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts.
J. Chem. Inf. Model.
Dmitry V. Zankov, Timur I. Madzhidov, Pavel G. Polishchuk, Pavel Sidorov, Alexandre Varnek
2022 J jnl
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data.
J. Chem. Inf. Model.
Timur Gimadiev, Ramil I. Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur I. Madzhidov, Pavel Sidorov, Alexandre Varnek
2022 J jnl
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation.
J. Chem. Inf. Model.
Tagir Akhmetshin, Arkadii I. Lin, Daniyar Mazitov, Yuliana Zabolotna, Evgenii Ziaikin, Timur I. Madzhidov, Alexandre Varnek
2022 J jnl
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
J. Chem. Inf. Model.
William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachéra, Arkadii I. Lin, Gilles Marcou, Igor I. Baskin, Timur I. Madzhidov, Alexandre Varnek
2021 J jnl
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data.
J. Chem. Inf. Model.
Timur Gimadiev, Ramil I. Nugmanov, Dinar Batyrshin, Timur I. Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek
2021 J jnl
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.
J. Chem. Inf. Model.
Dmitry V. Zankov, Mariia Matveieva, Aleksandra V. Nikonenko, Ramil I. Nugmanov, Igor I. Baskin, Alexandre Varnek, Pavel G. Polishchuk, Timur I. Madzhidov
2019 J jnl
CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing.
J. Chem. Inf. Model.
Ramil I. Nugmanov, Ravil N. Mukhametgaleev, Tagir Akhmetshin, Timur Gimadiev, Valentina A. Afonina, Timur I. Madzhidov, Alexandre Varnek
2019 J jnl
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules.
J. Chem. Inf. Model.
Dmitry V. Zankov, Timur I. Madzhidov, Asima I. Rakhimbekova, Timur Gimadiev, Ramil I. Nugmanov, Marina A. Kazymova, Igor I. Baskin, Alexandre Varnek
2019 — conf
Multi-instance Learning for Structure-Activity Modeling for Molecular Properties.
AIST (Supplement)
Dmitry V. Zankov, Maxim D. Shevelev, Alexandra V. Nikonenko, Pavel G. Polishchuk, Asima I. Rakhimbekova, Timur I. Madzhidov
2018 J jnl
Assessment of tautomer distribution using the condensed reaction graph approach.
J. Comput. Aided Mol. Des.
Timur Gimadiev, Timur I. Madzhidov, Ramil I. Nugmanov, Igor I. Baskin, Igor S. Antipin, Alexandre Varnek
2018 J jnl
Hydration of copper(II) amino acids complexes.
J. Comput. Chem.
Mikhail S. Bukharov, Valery G. Shtyrlin, Edward M. Gilyazetdinov, Nikita Yu. Serov, Timur I. Madzhidov
2017 J jnl
Structure-reactivity modeling using mixture-based representation of chemical reactions.
J. Comput. Aided Mol. Des.
Pavel G. Polishchuk, Timur I. Madzhidov, Timur Gimadiev, Andrey Bodrov, Ramil I. Nugmanov, Alexandre Varnek
2016 J jnl
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis.
J. Chem. Inf. Model.
Arkadii I. Lin, Timur I. Madzhidov, Olga Klimchuk, Ramil I. Nugmanov, Igor S. Antipin, Alexandre Varnek
2013 J jnl
Estimation of the size of drug-like chemical space based on GDB-17 data.
J. Comput. Aided Mol. Des.
Pavel G. Polishchuk, Timur I. Madzhidov, Alexandre Varnek