Pavel Polishchuk
Pavel Polishchuk
Institute of Molecular and Translational Medicine, Palacky University
Підтверджена електронна адреса в upol.cz
Назва
Посилання
Посилання
Рік
Estimation of the size of drug-like chemical space based on GDB-17 data
PG Polishchuk, TI Madzhidov, A Varnek
Journal of computer-aided molecular design 27 (8), 675-679, 2013
2182013
Applicability domains for classification problems: benchmarking of distance to models for Ames mutagenicity set
I Sushko, S Novotarskyi, R Körner, AK Pandey, A Cherkasov, J Li, ...
Journal of chemical information and modeling 50 (12), 2094-2111, 2010
1982010
Application of random forest approach to QSAR prediction of aquatic toxicity
PG Polishchuk, EN Muratov, AG Artemenko, OG Kolumbin, NN Muratov, ...
Journal of chemical information and modeling 49 (11), 2481-2488, 2009
1452009
Interpretation of quantitative structure–activity relationship models: past, present, and future
P Polishchuk
Journal of chemical information and modeling 57 (11), 2618-2639, 2017
892017
Existing and developing approaches for QSAR analysis of mixtures
EN Muratov, EV Varlamova, AG Artemenko, PG Polishchuk, VE Kuz'min
Molecular informatics 31 (3‐4), 202-221, 2012
852012
Interpretation of QSAR models based on random forest methods
VE Kuz'min, PG Polishchuk, AG Artemenko, SA Andronati
Molecular informatics 30 (6‐7), 593-603, 2011
612011
Universal approach for structural interpretation of QSAR/QSPR models
PG Polishchuk, VE Kuz'min, AG Artemenko, EN Muratov
Molecular informatics 32 (9‐10), 843-853, 2013
562013
QSPR approach to predict nonadditive properties of mixtures. Application to bubble point temperatures of binary mixtures of liquids
I Oprisiu, E Varlamova, E Muratov, A Artemenko, G Marcou, P Polishchuk, ...
Molecular informatics 31 (6‐7), 491-502, 2012
512012
Structure-reactivity relationships in terms of the condensed graphs of reactions
TI Madzhidov, PG Polishchuk, RI Nugmanov, AV Bodrov, AI Lin, II Baskin, ...
Russian Journal of Organic Chemistry 50 (4), 459-463, 2014
382014
Structural and physico-chemical interpretation (SPCI) of QSAR models and its comparison with matched molecular pair analysis
P Polishchuk, O Tinkov, T Khristova, L Ognichenko, A Kosinskaya, ...
Journal of chemical information and modeling 56 (8), 1455-1469, 2016
342016
Application of random forest and multiple linear regression techniques to QSPR prediction of an aqueous solubility for military compounds
NA Kovdienko, PG Polishchuk, EN Muratov, AG Artemenko, VE Kuz'min, ...
Molecular informatics 29 (5), 394-406, 2010
302010
Structure–reactivity modeling using mixture-based representation of chemical reactions
P Polishchuk, T Madzhidov, T Gimadiev, A Bodrov, R Nugmanov, ...
Journal of computer-aided molecular design 31 (9), 829-839, 2017
242017
Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents
PG Polishchuk, GV Samoylenko, TM Khristova, OL Krysko, TA Kabanova, ...
Journal of medicinal chemistry 58 (19), 7681-7694, 2015
212015
Bimolecular nucleophilic substitution reactions: Predictive models for rate constants and molecular reaction pairs analysis
T Gimadiev, T Madzhidov, I Tetko, R Nugmanov, I Casciuc, O Klimchuk, ...
Molecular informatics 38 (4), 1800104, 2019
122019
Ligand-based pharmacophore modeling using novel 3D pharmacophore signatures
A Kutlushina, A Khakimova, T Madzhidov, P Polishchuk
Molecules 23 (12), 3094, 2018
112018
QSAR analysis of poliovirus inhibition by dual combinations of antivirals
EN Muratov, EV Varlamova, AG Artemenko, PG Polishchuk, ...
Structural Chemistry 24 (5), 1665-1679, 2013
112013
Novel enhanced applications of QSPR models: temperature dependence of aqueous solubility
K Klimenko, V Kuz'min, L Ognichenko, L Gorb, M Shukla, N Vinas, ...
Journal of computational chemistry 37 (22), 2045-2051, 2016
82016
CReM: chemically reasonable mutations framework for structure generation
P Polishchuk
Journal of Cheminformatics 12, 1-18, 2020
72020
Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3
AA Krysko, AY Kornylov, PG Polishchuk, GV Samoylenko, OL Krysko, ...
Bioorganic & medicinal chemistry letters 26 (7), 1839-1843, 2016
72016
Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2, 3-dihydroisoindolin-1-one fragment as ligands of …
AA Krysko, GV Samoylenko, PG Polishchuk, MS Fonari, VC Kravtsov, ...
Bioorganic & medicinal chemistry 21 (15), 4646-4661, 2013
72013
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