Timur Gimadiev

According to our database, Timur Gimadiev authored at least 8 papers between 2017 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Graph-based transformer to predict the octanol-water partition coefficient.

Vyacheslav Grigorev, Nikita Serov, Timur Gimadiev, Assima Poyezzhayeva, Pavel Sidorov

J. Cheminformatics, December, 2026

2023

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, December, 2023

2022

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

2021

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

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

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

2018

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

2017

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