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. AlvesComputational Chemist at Takeda PharmaceuticalsVerified email at takeda.com
Rodolpho C. Braga, PhDCo-founder and CTOVerified email at insilicall.com
Stephen J. CapuzziVertex PharmaceuticalsVerified email at email.unc.edu
Cleber C. Melo-FilhoPostdoctoral Research Associate at University of North Carolina at Chapel HillVerified email at email.unc.edu
Alexey ZakharovNational Institutes of HealthVerified email at nih.gov
Nicole KleinstreuerNICEATM DirectorVerified 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
Jerzy LeszczynskiProfessor of Chemistry and President's Distinguished Fellow, Jackson State UniversityVerified email at icnanotox.org
Artem CherkasovUniversity of British ColumbiaVerified email at interchange.ubc.ca
Leonid GorbInstitute of Molecular Biology and Genetics, NAS of UkraineVerified email at imbg.org.ua
Olexandr IsayevAssociate Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerified email at unistra.fr
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
José Teófilo Moreira-FilhoPostdoctoral Research Fellow at National Institute of Environmental Health Sciences (NIEHS)Verified email at discente.ufg.br

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	1760	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	749	2010
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	511	2020
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	337	2017
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	332	2018
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	322	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	293	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	289	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	280	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	259	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	247	2019
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	242	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	223	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	220	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	197	2009
Curation of chemogenomics data D Fourches, E Muratov, A Tropsha Nature Chemical Biology 11 (8), 535-535, 2015	189	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
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	176	2016
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	164	2015
Progress towards a public chemogenomic set for protein kinases and a call for contributions DH Drewry, CI Wells, DM Andrews, R Angell, H Al-Ali, AD Axtman, ... PloS one 12 (8), e0181585, 2017	141	2017

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