QSAR modeling: where have you been? Where are you going to? A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ... Journal of medicinal chemistry 57 (12), 4977-5010, 2014 | 1997 | 2014 |
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 | 265 | 2010 |
Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches Y Low, T Uehara, Y Minowa, H Yamada, Y Ohno, T Urushidani, A Sedykh, ... Chemical research in toxicology 24 (8), 1251-1262, 2011 | 235 | 2011 |
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 | 212 | 2009 |
Hierarchical QSAR technology based on the Simplex representation of molecular structure VE Kuz’min, AG Artemenko, EN Muratov Journal of computer-aided molecular design 22, 403-421, 2008 | 188 | 2008 |
Investigation of anticancer activity of macrocyclic Schiff bases by means of 4D-QSAR based on simplex representation of molecular structure VE Kuz'min, AG Artemenko, RN Lozytska, AS Fedtchouk, VP Lozitsky, ... SAR and QSAR in Environmental Research 16 (3), 219-230, 2005 | 142 | 2005 |
Alarms about structural alerts VM Alves, EN Muratov, SJ Capuzzi, R Politi, Y Low, RC Braga, ... Green Chemistry 18 (16), 4348-4360, 2016 | 137 | 2016 |
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 | 126 | 2012 |
Hierarchic system of QSAR models (1D–4D) on the base of simplex representation of molecular structure VE Kuz’min, AG Artemenko, PG Polischuk, EN Muratov, AI Hromov, ... Journal of molecular modeling 11, 457-467, 2005 | 123 | 2005 |
From basic physics to mechanisms of toxicity: The “liquid drop” approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles N Sizochenko, B Rasulev, A Gajewicz, V Kuz'min, T Puzyn, J Leszczynski Nanoscale 6 (22), 13986-13993, 2014 | 113 | 2014 |
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 | 95 | 2011 |
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 | 92 | 2013 |
Qsar modeling and prediction of drug–drug interactions AV Zakharov, EV Varlamova, AA Lagunin, AV Dmitriev, EN Muratov, ... Molecular pharmaceutics 13 (2), 545-556, 2016 | 76 | 2016 |
Quantitative structure− activity relationship studies of [(Biphenyloxy) propyl] isoxazole derivatives. Inhibitors of human rhinovirus 2 replication VE Kuz'min, AG Artemenko, EN Muratov, IL Volineckaya, VA Makarov, ... Journal of medicinal chemistry 50 (17), 4205-4213, 2007 | 76 | 2007 |
Per Aspera Ad Astra: Application of Simplex Qsar Approach in Antiviral Research EN Muratov, AG Artemenko, EV Varlamova, PG Polischuk, VP Lozitsky, ... Future medicinal chemistry 2 (7), 1205-1226, 2010 | 72 | 2010 |
Quantitative structure–activity relationships (QSARs)–applications and methodology MTD Cronin Recent advances in QSAR studies: methods and applications, 3-11, 2010 | 72 | 2010 |
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 | 71 | 2012 |
Analysis of the structure-anticancer activity relationship in a set of Schiff bases of macrocyclic 2, 6-bis (2-and 4-formylaryloxymethyl) pyridines. V Kuz'min, VP Lozitsky, G Kamalov, R Lozitskaya, A Zheltvay, ... Acta Biochimica Polonica 47 (3), 867-875, 2000 | 70 | 2000 |
The effect of nitroaromatics’ composition on their toxicity in vivo: novel, efficient non-additive 1D QSAR analysis VE Kuz’Min, EN Muratov, AG Artemenko, L Gorb, M Qasim, J Leszczynski Chemosphere 72 (9), 1373-1380, 2008 | 62 | 2008 |
QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action AG Artemenko, EN Muratov, VE Kuz’Min, NN Muratov, EV Varlamova, ... SAR and QSAR in Environmental Research 22 (5-6), 575-601, 2011 | 58 | 2011 |