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Timur I. Madzhidov
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- affiliation: Kazan Federal University, Russia
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2020 – today
- 2023
- [j13]Dmitry V. Zankov
, Timur I. Madzhidov, Pavel G. Polishchuk
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts. J. Chem. Inf. Model. 63(21): 6629-6641 (2023) - 2022
- [j12]Timur Gimadiev, Ramil I. Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur I. Madzhidov, Pavel Sidorov, Alexandre Varnek:
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. J. Chem. Inf. Model. 62(9): 2015-2020 (2022) - [j11]Tagir Akhmetshin
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation. J. Chem. Inf. Model. 62(15): 3524-3534 (2022) - [j10]William Bort, Daniyar Mazitov
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder. J. Chem. Inf. Model. 62(22): 5471-5484 (2022) - 2021
- [j9]Timur Gimadiev, Ramil I. Nugmanov
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data. J. Chem. Inf. Model. 61(2): 554-559 (2021) - [j8]Dmitry V. Zankov
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach. J. Chem. Inf. Model. 61(10): 4913-4923 (2021)
2010 – 2019
- 2019
- [j7]Ramil I. Nugmanov
CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing. J. Chem. Inf. Model. 59(6): 2516-2521 (2019) - [j6]Dmitry V. Zankov
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules. J. Chem. Inf. Model. 59(11): 4569-4576 (2019) - [c1]Dmitry V. Zankov
Multi-instance Learning for Structure-Activity Modeling for Molecular Properties. AIST (Supplement) 2019: 62-71 - 2018
- [j5]Timur Gimadiev, Timur I. Madzhidov
Assessment of tautomer distribution using the condensed reaction graph approach. J. Comput. Aided Mol. Des. 32(3): 401-414 (2018) - [j4]Mikhail S. Bukharov
Hydration of copper(II) amino acids complexes. J. Comput. Chem. 39(14): 821-826 (2018) - 2017
- [j3]Pavel G. Polishchuk
Structure-reactivity modeling using mixture-based representation of chemical reactions. J. Comput. Aided Mol. Des. 31(9): 829-839 (2017) - 2016
- [j2]Arkadii I. Lin
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis. J. Chem. Inf. Model. 56(11): 2140-2148 (2016) - 2013
- [j1]Pavel G. Polishchuk
Estimation of the size of drug-like chemical space based on GDB-17 data. J. Comput. Aided Mol. Des. 27(8): 675-679 (2013)
Coauthor Index
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