Alexander Tropsha

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Eugene MuratovUniversity of North CarolinaDirección de correo verificada de email.unc.edu
Hao ZhuProfessor of Biomedical Informatics and Genomics, Tulane UniversityDirección de correo verificada de tulane.edu
Alexander SedykhSenior Cheminformatics Scientist, Sciome LLC, NCDirección de correo verificada de sciome.com
Ivan RusynDepartment of Veterinary Physiology and Pharmacology, Texas A&M UniversityDirección de correo verificada de cvm.tamu.edu
Alexandre VarnekProfessor of Chemistry, University of StrasbourgDirección de correo verificada de unistra.fr
Tudor OpreaCEO, Expert Systems IncDirección de correo verificada de expertsystems.inc
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyDirección de correo verificada de uninsubria.it
Jun (Luke) HuanAWS AI LabsDirección de correo verificada de amazon.com
Wei WangLeonard Kleinrock Professor in Computer Science, UCLADirección de correo verificada de cs.ucla.edu
Iosif I. VaismanProfessor of Bioinformatics and Computational Biology, School of Systems Biology, George MasonDirección de correo verificada de gmu.edu
Jan F. PrinsProfessor of Computer Science, UNC Chapel HillDirección de correo verificada de cs.unc.edu
Igor V. TetkoBIGCHEM GmbH & Helmholtz MunichDirección de correo verificada de helmholtz-munich.de
Deepak BandyopadhyayGlaxoSmithKlineDirección de correo verificada de gsk.com
Jack SnoeyinkComputer Science, UNC Chapel HillDirección de correo verificada de cs.unc.edu
Hao TangBristol-Myers SquibbDirección de correo verificada de bms.com
BL RothDepartment of Pharmacology, University of North Carolina Medical SchoolDirección de correo verificada de med.unc.edu
Tomas ÖbergProfessor Emeritus (Ret.)Dirección de correo verificada de lnu.se
Nikolay DokholyanG. Thomas Passananti ProfessorDirección de correo verificada de psu.edu
Jui-Hua HsiehNational Toxicology Program, National Institute of Environmental Health SciencesDirección de correo verificada de nih.gov
Fred A WrightNorth Carolina State UniversityDirección de correo verificada de ncsu.edu

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Alexander Tropsha

Professor at UNC-Chapel Hill

Dirección de correo verificada de unc.edu

Cheminformatics chemoinformatics computational toxicology drug discovery materials informatics


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Beware of q2! A Golbraikh, A Tropsha Journal of molecular graphics and modelling 20 (4), 269-276, 2002	4362	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	2613	2003
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	2035	2014
Best practices for QSAR model development, validation, and exploitation A Tropsha Molecular informatics 29 (6‐7), 476-488, 2010	1953	2010
Deep reinforcement learning for de novo drug design M Popova, O Isayev, A Tropsha Science advances 4 (7), eaap7885, 2018	1245	2018
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	841	2010
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, 241-253, 2003	814	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, 231-243, 2000	790	2000
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	719	2020
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	716	2015
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), 15679, 2017	647	2017
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	619	2014
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	575	2000
Predictive QSAR modeling workflow, model applicability domains, and virtual screening A Tropsha, A Golbraikh Current pharmaceutical design 13 (34), 3494-3504, 2007	522	2007
Autoimmunity is triggered by cPR-3 (105–201), a protein complementary to human autoantigen proteinase-3 WF Pendergraft III, GA Preston, RR Shah, A Tropsha, CW Carter Jr, ... Nature medicine 10 (1), 72-79, 2004	471	2004
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	459	2008
Quantitative nanostructure− activity relationship modeling D Fourches, D Pu, C Tassa, R Weissleder, SY Shaw, RJ Mumper, ... ACS nano 4 (10), 5703-5712, 2010	416	2010
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	367	1995
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
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	343	2008

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