Igor V. Tetko

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$Vsevolod Y. Tanchuk \ Всеволод Танчук$ Vsevolod Y. Tanchuk \ Всеволод Тан...IBOPC, Інститут біоорганічної хімії та нафтохімії НАН УкраїниDirección de correo verificada de bpci.kiev.ua
David John LivingstoneScientific ConsultantDirección de correo verificada de chemquestuk.com
Gennady PodaPhD, Scientific Advisor & Group Leader, Computational Chemistry and Chemoinformatics, OICRDirección de correo verificada de oicr.on.ca
Werner MewesProfessor of Bioinformatics (retired), Technische Univ. MünchenDirección de correo verificada de mytum.de
Yurii SushkoGoogleDirección de correo verificada de google.com
Alexandre VarnekProfessor of Chemistry, University of StrasbourgDirección de correo verificada de unistra.fr
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$Vasyl Kovalishyn \ Ковалішин Василь Володимирович$ Vasyl Kovalishyn \ Ковалішин Василь...V.P. Kukhar Institute of Bioorganic Chemistry and Petroсhemistry, NAS of Ukraine, PhD, SeniorDirección de correo verificada de bpci.kiev.ua
Tomas ÖbergProfessor Emeritus (Ret.)Dirección de correo verificada de lnu.se
Pavel KarpovResearcher, Moscow State University, Chemistry departmentDirección de correo verificada de qsar.chem.msu.ru
Dr. Guillaume GodinGenevaDirección de correo verificada de firmenich.com
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyDirección de correo verificada de uninsubria.it
Alexander Makarenko /Oleksandr Mak...National Technical University of Ukraine "KPI"Dirección de correo verificada de kpi.ua
Ester PapaAssociate Professor, University of InsubriaDirección de correo verificada de uninsubria.it
Igor I. BaskinDepartment of Materials Science and Engineering, Technion - Israel Institute of TechnologyDirección de correo verificada de technion.ac.il
Alexander TropshaProfessor at UNC-Chapel HillDirección de correo verificada de unc.edu
Roberto TodeschiniUniversity of Milano-Bicocca - Honorary professor of chemometricsDirección de correo verificada de unimib.it
Ahmed AbdelazizConsultant, Rosettastein ConsultingDirección de correo verificada de amaziz.com
Peijnenburg WillieRIVM - Center for Safety of Substances and ProductsDirección de correo verificada de rivm.nl
Marco R. CelioEmeritus, Professor of Histology and Embryology, University of FribourgDirección de correo verificada de unifr.ch

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Igor V. Tetko

BIGCHEM GmbH & Helmholtz Munich

Dirección de correo verificada de helmholtz-munich.de - Página principal

Chemoinformatics Cheminformatics QSPR QSAR Computer Science


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Virtual computational chemistry laboratory–design and description IV Tetko, J Gasteiger, R Todeschini, A Mauri, D Livingstone, P Ertl, ... Journal of computer-aided molecular design 19, 453-463, 2005	1799	2005
The FunCat, a functional annotation scheme for systematic classification of proteins from whole genomes A Ruepp, A Zollner, D Maier, K Albermann, J Hani, M Mokrejs, I Tetko, ... Nucleic acids research 32 (18), 5539-5545, 2004	1357	2004
The Fusarium graminearum Genome Reveals a Link Between Localized Polymorphism and Pathogen Specialization CA Cuomo, U Güldener, JR Xu, F Trail, BG Turgeon, A Di Pietro, ... Science 317 (5843), 1400-1402, 2007	1043	2007
Neural network studies. 1. Comparison of overfitting and overtraining IV Tetko, DJ Livingstone, AI Luik Journal of chemical information and computer sciences 35 (5), 826-833, 1995	1006	1995
Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds R Mannhold, GI Poda, C Ostermann, IV Tetko Journal of pharmaceutical sciences 98 (3), 861-893, 2009	721	2009
Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program IV Tetko, VY Tanchuk Journal of chemical information and computer sciences 42 (5), 1136-1145, 2002	708	2002
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	686	2020
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ... Journal of computer-aided molecular design 25, 533-554, 2011	636	2011
Gene selection from microarray data for cancer classification—a machine learning approach Y Wang, IV Tetko, MA Hall, E Frank, A Facius, KFX Mayer, HW Mewes Computational biology and chemistry 29 (1), 37-46, 2005	537	2005
Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices IV Tetko, VY Tanchuk, AEP Villa Journal of chemical information and computer sciences 41 (5), 1407-1421, 2001	490	2001
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	454	2008
Estimation of aqueous solubility of chemical compounds using E-state indices IV Tetko, VY Tanchuk, TN Kasheva, AEP Villa Journal of chemical information and computer sciences 41 (6), 1488-1493, 2001	444	2001
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	341	2008
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	333	2016
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis IV Tetko, P Karpov, R Van Deursen, G Godin Nature communications 11 (1), 5575, 2020	320	2020
Can we estimate the accuracy of ADME–Tox predictions? IV Tetko, P Bruneau, HW Mewes, DC Rohrer, GI Poda Drug discovery today 11 (15-16), 700-707, 2006	310	2006
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	269	2010
A renaissance of neural networks in drug discovery II Baskin, D Winkler, IV Tetko Expert opinion on drug discovery 11 (8), 785-795, 2016	267	2016
ToxAlerts: a web server of structural alerts for toxic chemicals and compounds with potential adverse reactions I Sushko, E Salmina, VA Potemkin, G Poda, IV Tetko Journal of chemical information and modeling 52 (8), 2310-2316, 2012	257	2012
ISIDA-Platform for virtual screening based on fragment and pharmacophoric descriptors A Varnek, D Fourches, D Horvath, O Klimchuk, C Gaudin, P Vayer, ... Current Computer-Aided Drug Design 4 (3), 191, 2008	254	2008

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