Igor V. Tetko

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$Vsevolod Y. Tanchuk \ Всеволод Танчук$ Vsevolod Y. Tanchuk \ Всеволод Тан...IBOPC, Інститут біоорганічної хімії та нафтохімії НАН УкраїниVerified email at bpci.kiev.ua
Gennady PodaPhD, Scientific Advisor & Group Leader, Computational Chemistry and Chemoinformatics, OICRVerified email at oicr.on.ca
Werner MewesProfessor of Bioinformatics (retired), Technische Univ. MünchenVerified email at mytum.de
Yurii SushkoGoogleVerified email at google.com
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerified email at unistra.fr
Sergii NovotarskyiFacebookVerified email at fb.com
$Vasyl Kovalishyn \ Ковалішин Василь Володимирович$ Vasyl Kovalishyn \ Ковалішин Василь...V.P. Kukhar Institute of Bioorganic Chemistry and Petroсhemistry, NAS of Ukraine, PhD, SeniorVerified email at bpci.kiev.ua
Tomas ÖbergProfessor Emeritus (Ret.)Verified email at lnu.se
Alexander Makarenko /Oleksandr Mak...National Technical University of Ukraine "KPI"Verified email at kpi.ua
Pavel KarpovPostdoc, Helmholtz-Zentrum Muenchen, Institute of Structural BiologyVerified email at helmholtz-muenchen.de
Igor I. BaskinDepartment of Materials Science and Engineering, Technion - Israel Institute of TechnologyVerified email at technion.ac.il
Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
Roberto TodeschiniUniversity of Milano-Bicocca - Full professor of chemometricsVerified email at unimib.it
Ester PapaAssociate Professor, University of InsubriaVerified email at uninsubria.it
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyVerified email at uninsubria.it
Ahmed AbdelazizConsultant, Rosettastein ConsultingVerified email at amaziz.com
Dr. Guillaume GodinFirmenich GenevaVerified email at firmenich.com
Marco R. CelioProfessor of Histology and Embryology, University of FribourgVerified email at unifr.ch
Beat SchwallerProfessor of Histology and Cell Biology, University of FribourgVerified email at unifr.ch
Andrea Mauri [orcid: 0000-0002-1966-...AlvascienceVerified email at alvascience.com

Igor V. Tetko

BIGCHEM GmbH & Helmholtz Munich

Verified email at helmholtz-munich.de - Homepage

Chemoinformatics Cheminformatics QSPR QSAR Computer Science


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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 (6), 453-463, 2005	1579	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	1291	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	886	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	836	1995
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	583	2002
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	553	2009
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	465	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	427	2001
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 (6), 533-554, 2011	406	2011
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	395	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	365	2008
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	294	2008
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	269	2006
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	229	2016
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	227	2020
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	225	2008
Computing chemistry on the web IV Tetko Drug discovery today 10 (22), 1497-1499, 2005	225	2005
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	213	2010
Application of ALOGPS to predict 1‐octanol/water distribution coefficients, logP, and logD, of AstraZeneca in‐house database IV Tetko, P Bruneau Journal of pharmaceutical sciences 93 (12), 3103-3110, 2004	205	2004
Neural network studies. 4. Introduction to associative neural networks IV Tetko Journal of chemical information and computer sciences 42 (3), 717-728, 2002	199	2002

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