| 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 | 2445 | 2014 |
| QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020 | 969 | 2020 |
| Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research D Fourches, E Muratov, A Tropsha Journal of chemical information and modeling 50 (7), 1189, 2010 | 962 | 2010 |
| QSAR-based virtual screening: advances and applications in drug discovery BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ... Frontiers in pharmacology 9, 1275, 2018 | 561 | 2018 |
| Chalcone derivatives: promising starting points for drug design MN Gomes, EN Muratov, M Pereira, JC Peixoto, LP Rosseto, PVL Cravo, ... Molecules 22 (8), 1210, 2017 | 466 | 2017 |
| CERAPP: collaborative estrogen receptor activity prediction project K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ... Environmental health perspectives 124 (7), 1023, 2016 | 391 | 2016 |
| Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, ... Nature communications 10 (1), 2674, 2019 | 381 | 2019 |
| Comprehensive characterization of the published kinase inhibitor set JM Elkins, V Fedele, M Szklarz, KR Abdul Azeez, E Salah, J Mikolajczyk, ... Nature biotechnology 34 (1), 95-103, 2016 | 364 | 2016 |
| Does rational selection of training and test sets improve the outcome of QSAR modeling? TM Martin, P Harten, DM Young, EN Muratov, A Golbraikh, H Zhu, ... Journal of chemical information and modeling 52 (10), 2570-2578, 2012 | 362 | 2012 |
| Materials cartography: representing and mining materials space using structural and electronic fingerprints O Isayev, D Fourches, EN Muratov, C Oses, K Rasch, A Tropsha, ... Chemistry of Materials 27 (3), 735-743, 2015 | 348 | 2015 |
| Trust, but verify II: a practical guide to chemogenomics data curation D Fourches, E Muratov, A Tropsha Journal of chemical information and modeling 56 (7), 1243-1252, 2016 | 335 | 2016 |
| 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 | 302 | 2010 |
| Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS SJ Capuzzi, EN Muratov, A Tropsha Journal of chemical information and modeling 57 (3), 417-427, 2017 | 279 | 2017 |
| Pred‐hERG: A novel web‐accessible computational tool for predicting cardiac toxicity RC Braga, VM Alves, MFB Silva, E Muratov, D Fourches, LM Lião, ... Molecular informatics 34 (10), 698-701, 2015 | 271 | 2015 |
| 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 | 258 | 2011 |
| Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives KC Bulusu, R Guha, DJ Mason, RPI Lewis, E Muratov, YK Motamedi, ... Drug discovery today 21 (2), 225-238, 2016 | 240 | 2016 |
| 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 | 234 | 2009 |
| Curation of chemogenomics data D Fourches, E Muratov, A Tropsha Nature Chemical Biology 11 (8), 535-535, 2015 | 226 | 2015 |
| A critical overview of computational approaches employed for COVID-19 drug discovery EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ... Chemical Society Reviews 50 (16), 9121-9151, 2021 | 223 | 2021 |
| CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental health perspectives 128 (2), 027002, 2020 | 208 | 2020 |
Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
