Alexander Tropsha

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Eugene MuratovUniversity of North CarolinaGeverifieerd e-mailadres voor email.unc.edu
Hao ZhuProfessor of Chemistry, Rutgers UniversityGeverifieerd e-mailadres voor rutgers.edu
Alexander SedykhSenior Cheminformatics Scientist, Sciome LLC, NCGeverifieerd e-mailadres voor sciome.com
Ivan RusynDepartment of Veterinary Integrative Biosciences, Texas A&M UniversityGeverifieerd e-mailadres voor cvm.tamu.edu
Alexandre VarnekProfessor of Chemistry, University of StrasbourgGeverifieerd e-mailadres voor unistra.fr
Jun (Luke) HuanBaidu ResearchGeverifieerd e-mailadres voor baidu.com
Wei WangLeonard Kleinrock Professor in Computer Science, UCLAGeverifieerd e-mailadres voor cs.ucla.edu
Iosif I. VaismanProfessor of Bioinformatics and Computational Biology, School of Systems Biology, George MasonGeverifieerd e-mailadres voor gmu.edu
Jan F. PrinsProfessor of Computer Science, UNC Chapel HillGeverifieerd e-mailadres voor cs.unc.edu
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyGeverifieerd e-mailadres voor uninsubria.it
Deepak BandyopadhyayGlaxoSmithKlineGeverifieerd e-mailadres voor gsk.com
Jack SnoeyinkComputer Science, UNC Chapel HillGeverifieerd e-mailadres voor cs.unc.edu
Tudor OpreaProfessor and Chief, Translational Informatics Division, UNM SchoolGeverifieerd e-mailadres voor salud.unm.edu
Igor V. TetkoBIGCHEM GmbH & Helmholtz Zentrum Muenchen (GmbH)Geverifieerd e-mailadres voor helmholtz-muenchen.de
BL RothDepartment of Pharmacology, University of North Carolina Medical SchoolGeverifieerd e-mailadres voor med.unc.edu
Hao TangBristol-Myers SquibbGeverifieerd e-mailadres voor bms.com
Tomas ÖbergProfessor Emeritus at Linnaeus UniversityGeverifieerd e-mailadres voor lnu.se
Nikolay DokholyanG. Thomas Passananti ProfessorGeverifieerd e-mailadres voor psu.edu
Jui-Hua HsiehNational Toxicology Program, National Institute of Environmental Health SciencesGeverifieerd e-mailadres voor nih.gov
Fred A WrightNorth Carolina State UniversityGeverifieerd e-mailadres voor ncsu.edu

Alexander Tropsha

Professor at UNC-Chapel Hill

Geverifieerd e-mailadres voor unc.edu

Cheminformatics computational drug discovery


Titel Sorteren op citaties Sorteren op jaar Sorteren op titel	Geciteerd door Geciteerd door	Jaar
Beware of q2! A Golbraikh, A Tropsha Journal of molecular graphics and modelling 20 (4), 269-276, 2002	3600	2002
The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models A Tropsha, P Gramatica, VK Gombar QSAR & Combinatorial Science 22 (1), 69-77, 2003	2186	2003
Best practices for QSAR model development, validation, and exploitation A Tropsha Molecular informatics 29 (6‐7), 476-488, 2010	1379	2010
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	1265	2014
Rational selection of training and test sets for the development of validated QSAR models A Golbraikh, M Shen, Z Xiao, YD Xiao, KH Lee, A Tropsha Journal of computer-aided molecular design 17 (2), 241-253, 2003	670	2003
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection A Golbraikh, A Tropsha Molecular diversity 5 (4), 231-243, 2000	646	2000
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	606	2010
Deep reinforcement learning for de novo drug design M Popova, O Isayev, A Tropsha Science advances 4 (7), eaap7885, 2018	522	2018
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k-Nearest-Neighbor Principle W Zheng, A Tropsha Journal of chemical information and computer sciences 40 (1), 185-194, 2000	518	2000
Chemical basis of interactions between engineered nanoparticles and biological systems Q Mu, G Jiang, L Chen, H Zhou, D Fourches, A Tropsha, B Yan Chemical reviews 114 (15), 7740-7781, 2014	445	2014
Beware of R²: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models DLJ Alexander, A Tropsha, DA Winkler Journal of chemical information and modeling 55 (7), 1316-1322, 2015	427	2015
Autoimmunity is triggered by cPR-3 (105–201), a protein complementary to human autoantigen proteinase-3 WF Pendergraft, GA Preston, RR Shah, A Tropsha, CW Carter, ... Nature medicine 10 (1), 72-79, 2004	414	2004
Predictive QSAR modeling workflow, model applicability domains, and virtual screening A Tropsha, A Golbraikh Current pharmaceutical design 13 (34), 3494-3504, 2007	389	2007
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable … IV Tetko, I Sushko, AK Pandey, H Zhu, A Tropsha, E Papa, T Oberg, ... Journal of chemical information and modeling 48 (9), 1733-1746, 2008	358	2008
Cross-validated R2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results SJ Cho, A Tropsha Journal of medicinal chemistry 38 (7), 1060-1066, 1995	348	1995
Universal fragment descriptors for predicting properties of inorganic crystals O Isayev, C Oses, C Toher, E Gossett, S Curtarolo, A Tropsha Nature communications 8 (1), 1-12, 2017	346	2017
Quantitative nanostructure− activity relationship modeling D Fourches, D Pu, C Tassa, R Weissleder, SY Shaw, RJ Mumper, ... ACS nano 4 (10), 5703-5712, 2010	325	2010
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis H Zhu, A Tropsha, D Fourches, A Varnek, E Papa, P Gramatica, T Oberg, ... Journal of chemical information and modeling 48 (4), 766-784, 2008	292	2008
Comprehensive characterization of the published kinase inhibitor set JM Elkins, V Fedele, M Szklarz, KRA Azeez, E Salah, J Mikolajczyk, ... Nature biotechnology 34 (1), 95-103, 2016	245	2016
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models S Zhang, A Golbraikh, S Oloff, H Kohn, A Tropsha Journal of chemical information and modeling 46 (5), 1984-1995, 2006	228	2006

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