Pavel G. Polishchuk

According to our database, Pavel G. Polishchuk authored at least 16 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

StreaMD: the toolkit for high-throughput molecular dynamics simulations.

Aleksandra Ivanova, Olena Mokshyna, Pavel G. Polishchuk

J. Cheminformatics, December, 2024

2023

EasyDock: customizable and scalable docking tool.

Guzel Minibaeva, Aleksandra Ivanova, Pavel G. Polishchuk

J. Cheminformatics, December, 2023

Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts.

Dmitry V. Zankov, Timur I. Madzhidov, Pavel G. Polishchuk, Pavel Sidorov, Alexandre Varnek

J. Chem. Inf. Model., November, 2023

2021

QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.

Dmitry V. Zankov, Mariia Matveieva, Aleksandra V. Nikonenko, Ramil I. Nugmanov, Igor I. Baskin, Alexandre Varnek, Pavel G. Polishchuk, Timur I. Madzhidov

J. Chem. Inf. Model., 2021

Benchmarks for interpretation of QSAR models.

Mariia Matveieva, Pavel G. Polishchuk

J. Cheminformatics, 2021

2020

Control of Synthetic Feasibility of Compounds Generated with CReM.

Pavel G. Polishchuk

J. Chem. Inf. Model., 2020

CReM: chemically reasonable mutations framework for structure generation.

Pavel G. Polishchuk

J. Cheminformatics, 2020

The Cross-Interpretation of QSAR Toxicological Models.

Oleg Tinkov, Pavel G. Polishchuk, Veniamin Yu. Grigor'ev, Yuri Porozov

Proceedings of the Bioinformatics Research and Applications - 16th International Symposium, 2020

2019

Multi-instance Learning for Structure-Activity Modeling for Molecular Properties.

Dmitry V. Zankov, Maxim D. Shevelev, Alexandra V. Nikonenko, Pavel G. Polishchuk, Asima I. Rakhimbekova, Timur I. Madzhidov

Proceedings of the Analysis of Images, Social Networks and Texts, 2019

2017

Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future.

Pavel G. Polishchuk

J. Chem. Inf. Model., November, 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

2016

Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis.

Pavel G. Polishchuk, Oleg Tinkov, Tatiana Khristova, Liudmila Ognichenko, Anna Kosinskaya, Alexandre Varnek, Victor Kuzmin

J. Chem. Inf. Model., 2016

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.

Kyrylo Klimenko, Victor Kuzmin, Liudmila Ognichenko, Leonid Gorb, Manoj Shukla, Natalia Vinas, Edward J. Perkins, Pavel G. Polishchuk, Anatoly G. Artemenko, Jerzy Leszczynski

J. Comput. Chem., 2016

2013

Estimation of the size of drug-like chemical space based on GDB-17 data.

Pavel G. Polishchuk, Timur I. Madzhidov, Alexandre Varnek

J. Comput. Aided Mol. Des., 2013

2010

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.

Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko

J. Chem. Inf. Model., 2010

2009

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity.

Pavel G. Polishchuk, Eugene N. Muratov, Anatoly G. Artemenko, Oleg G. Kolumbin, Nail N. Muratov, Victor Kuzmin

J. Chem. Inf. Model., 2009