Eugene Muratov

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Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
Prof. Victor Kuz'min, В.Е. Кузьмин, В....A.V. Bogatsky Phys.-Chem. Institute NAS of Ukraine, Department on Molecular Structure andVerified email at nas.gov.ua
Carolina Horta AndradeProfessor of Medicinal Chemistry, Faculty of Pharmacy, Universidade Federal de GoiasVerified email at ufg.br
Vinicius M. AlvesPrincipal Scientist II at NovartisVerified email at novartis.com
Rodolpho C. Braga, PhDCo-founder and CTOVerified email at insilicall.com
Cleber C. Melo-FilhoPostdoctoral Research Associate at University of North Carolina at Chapel HillVerified email at email.unc.edu
Stephen J. CapuzziVertex PharmaceuticalsVerified email at email.unc.edu
Nicole KleinstreuerNICEATM DirectorVerified email at nih.gov
Alexey ZakharovNational Institutes of HealthVerified email at nih.gov
Marcus Tullius ScottiDepartamento de QuímicaVerified email at ccae.ufpb.br
Daniel KornData Scientist, Division of Translational Medicine and Human Genetics: University of PennsylvaniaVerified email at pennmedicine.upenn.edu
Artem CherkasovUniversity of British ColumbiaVerified email at interchange.ubc.ca
Jerzy LeszczynskiProfessor of Chemistry and President's Distinguished Fellow, Jackson State UniversityVerified email at icnanotox.org
Olexandr IsayevCarl and Amy Jones Professor of Chemistry, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Leonid GorbInstitute of Molecular Biology and Genetics, NAS of UkraineVerified email at imbg.org.ua
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerified email at unistra.fr
José Teófilo Moreira-FilhoPostdoctoral Research Fellow at National Institute of Environmental Health Sciences (NIEHS)Verified email at discente.ufg.br
Tesia BobrowskiIcahn School of Medicine at Mount SinaiVerified email at icahn.mssm.edu
Pavel PolishchukInstitute of Molecular and Translational Medicine, Palacky UniversityVerified email at upol.cz
Curtarolo, StefanoDuke UniversityVerified email at nietzsche.mems.duke.edu

Eugene Muratov

University of North Carolina

Verified email at email.unc.edu


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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	2032	2014
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	837	2010
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	715	2020
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	447	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	387	2017
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	348	2016
CERAPP: collaborative estrogen receptor activity prediction project K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ... Environmental health perspectives 124 (7), 1023-1033, 2016	335	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	320	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	318	2015
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	310	2019
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	292	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	274	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	247	2017
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	216	2009
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	209	2016
Curation of chemogenomics data D Fourches, E Muratov, A Tropsha Nature Chemical Biology 11 (8), 535-535, 2015	209	2015
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	203	2015
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	189	2008
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	179	2021

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