Pavel G. Polishchuk

18 papers Journal 16Unranked 2

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. J. Chem. Inf. Model. Fengling Li, Suzanne Ackloo, Cheryl H. Arrowsmith, Fuqiang Ban, Christopher J. Barden, Hartmut Beck, Jan Beránek, Francois Berenger, Albina Bolotokova, Guillaume Bret, Marko Breznik, Emanuele Carosati, Irene Chau, Yu Chen, Artem Cherkasov, Dennis Della Corte, Katrin Denzinger, Aiping Dong, Sorin Draga, Ian Dunn, Kristina Edfeldt, Aled M. Edwards, Merveille K. I. Eguida, Paul Eisenhuth, Lukas Friedrich, Alexander Fuerll, Spencer S. Gardiner, Francesco Gentile, Pegah Ghiabi, Elisa Gibson, Marta Glavatskikh, Christoph Gorgulla, Judith Guenther, Anders Gunnarsson, Filipp Gusev, Evgeny Gutkin, Levon Halabelian, Rachel J. Harding, Alexander Hillisch, Laurent Hoffer, Anders Hogner, Scott Houliston, John J. Irwin, Olexandr Isayev, Aleksandra Ivanova, Célien Jacquemard, Austin J. Jarrett, Jan H. Jensen, Dmitri Kireev, Julian Kleber, S. Benjamin Koby, David Koes, Ashutosh Kumar, Maria G. Kurnikova, Alina Kutlushina, Uta F. Lessel, Fabian Liessmann, Sijie Liu, Wei Lu, Jens Meiler, Akhila Mettu, Guzel Minibaeva, Rocco Moretti, Connor J. Morris, Chamali Narangoda, Theresa Noonan, Leon Obendorf, Szymon Pach, Amit Pandit, Sumera Perveen, Gennady Poda, Pavel G. Polishchuk, Kristina Puls, Vera Pütter, Didier Rognan, Dylan Roskams-Edris, Christina E. M. Schindler, François Sindt, Vojtech Spiwok, Casper Steinmann, Rick L. Stevens, Valerij Talagayev, Damon Tingey, Oanh Vu, W. Patrick Walters, Xiaowen Wang, Zhenyu Wang, Gerhard Wolber, Clemens Alexander Wolf, Lars Wortmann, Hong Zeng, Carlos A. Zepeda, Kam Y. J. Zhang, Jixian Zhang, Shuangjia Zheng, Matthieu Schapira
2024	J	`jnl`	Correction: StreaMD: the toolkit for high-throughput molecular dynamics simulations. J. Cheminformatics Aleksandra Ivanova, Olena Mokshyna, Pavel G. Polishchuk
2024	J	`jnl`	StreaMD: the toolkit for high-throughput molecular dynamics simulations. J. Cheminformatics Aleksandra Ivanova, Olena Mokshyna, Pavel G. Polishchuk
2023	J	`jnl`	EasyDock: customizable and scalable docking tool. J. Cheminformatics Guzel Minibaeva, Aleksandra Ivanova, Pavel G. Polishchuk
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
2021	J	`jnl`	Benchmarks for interpretation of QSAR models. J. Cheminformatics Mariia Matveieva, Pavel G. Polishchuk
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
2020	J	`jnl`	CReM: chemically reasonable mutations framework for structure generation. J. Cheminformatics Pavel G. Polishchuk
2020	J	`jnl`	Control of Synthetic Feasibility of Compounds Generated with CReM. J. Chem. Inf. Model. Pavel G. Polishchuk
2020	—	`conf`	The Cross-Interpretation of QSAR Toxicological Models. ISBRA Oleg Tinkov, Pavel G. Polishchuk, Veniamin Yu. Grigor'ev, Yuri Porozov
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
2017	J	`jnl`	Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future. J. Chem. Inf. Model. Pavel G. Polishchuk
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`	Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility. J. Comput. Chem. Kyrylo Klimenko, Victor Kuzmin, Liudmila Ognichenko, Leonid Gorb, Manoj Shukla, Natalia Vinas, Edward J. Perkins, Pavel G. Polishchuk, Anatoly G. Artemenko, Jerzy Leszczynski
2016	J	`jnl`	Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis. J. Chem. Inf. Model. Pavel G. Polishchuk, Oleg Tinkov, Tatiana Khristova, Liudmila Ognichenko, Anna Kosinskaya, Alexandre Varnek, Victor Kuzmin
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
2010	J	`jnl`	Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 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 M. 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
2009	J	`jnl`	Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity. J. Chem. Inf. Model. Pavel G. Polishchuk, Eugene N. Muratov, Anatoly G. Artemenko, Oleg G. Kolumbin, Nail N. Muratov, Victor Kuzmin