Pavel Polishchuk
Pavel Polishchuk
Institute of Molecular and Translational Medicine, Palacky University
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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
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
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
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
Interpretation of quantitative structure–activity relationship models: past, present, and future
P Polishchuk
Journal of chemical information and modeling 57 (11), 2618-2639, 2017
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
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
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
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
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
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
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
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
Ligand-based pharmacophore modeling using novel 3D pharmacophore signatures
A Kutlushina, A Khakimova, T Madzhidov, P Polishchuk
Molecules 23 (12), 3094, 2018
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
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
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
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
‘Quasi‐Mixture’Descriptors for QSPR Analysis of Molecular Macroscopic Properties. The Critical Properties of Organic Compounds
E Mokshyna, VI Nedostup, PG Polishchuk, VE Kuzmin
Molecular informatics 33 (10), 647-654, 2014
RGD mimetics containing phthalimidine fragment as novel ligands of fibrinogen receptor
AA Krysko, GV Samoylenko, PG Polishchuk, SA Andronati, TA Kabanova, ...
Bioorganic & medicinal chemistry letters 21 (19), 5971-5974, 2011
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