Igor V. Tetko

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$Vsevolod Y. Tanchuk \ Всеволод Танчук$ Vsevolod Y. Tanchuk \ Всеволод Тан...IBOPC, Інститут біоорганічної хімії та нафтохімії НАН УкраїниVerifierad e-postadress på bpci.kiev.ua
David John LivingstoneScientific ConsultantVerifierad e-postadress på chemquestuk.com
Gennady PodaPhD, Scientific Advisor & Group Leader, Computational Chemistry and Chemoinformatics, OICRVerifierad e-postadress på oicr.on.ca
Werner MewesProfessor of Bioinformatics (retired), Technische Univ. MünchenVerifierad e-postadress på mytum.de
Yurii SushkoGoogleVerifierad e-postadress på google.com
Pavel KarpovResearcher, Moscow State University, Chemistry departmentVerifierad e-postadress på qsar.chem.msu.ru
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerifierad e-postadress på unistra.fr
Sergii NovotarskyiFacebookVerifierad e-postadress på fb.com
Dr. Guillaume GodinGenevaVerifierad e-postadress på firmenich.com
Tomas ÖbergProfessor Emeritus (Ret.)Verifierad e-postadress på lnu.se
$Vasyl Kovalishyn \ Ковалішин Василь Володимирович$ Vasyl Kovalishyn \ Ковалішин Василь...V.P. Kukhar Institute of Bioorganic Chemistry and Petroсhemistry, NAS of Ukraine, PhD, SeniorVerifierad e-postadress på bpci.kiev.ua
Alexander Makarenko /Oleksandr Mak...National Technical University of Ukraine "KPI"Verifierad e-postadress på kpi.ua
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyVerifierad e-postadress på uninsubria.it
Roberto TodeschiniUniversity of Milano-Bicocca - Honorary professor of chemometricsVerifierad e-postadress på unimib.it
Igor I. BaskinDepartment of Materials Science and Engineering, Technion - Israel Institute of TechnologyVerifierad e-postadress på technion.ac.il
Ester PapaAssociate Professor, University of InsubriaVerifierad e-postadress på uninsubria.it
Alexander TropshaProfessor at UNC-Chapel HillVerifierad e-postadress på unc.edu
Peijnenburg WillieRIVM - Center for Safety of Substances and ProductsVerifierad e-postadress på rivm.nl
Ola EngkvistAstraZeneca R&D Gothenburg Orcid:0000-0003-4970-6461Verifierad e-postadress på astrazeneca.com
Marco R. CelioEmeritus, Professor of Histology and Embryology, University of FribourgVerifierad e-postadress på unifr.ch

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Igor V. Tetko

BIGCHEM GmbH & Helmholtz Munich

Verifierad e-postadress på helmholtz-munich.de - Startsida

Chemoinformatics Cheminformatics QSPR QSAR Computer Science


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	1829	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	1367	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	1063	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	1023	1995
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	757	2020
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	738	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	720	2002
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	676	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	545	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	494	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	466	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	459	2001
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	350	2020
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	345	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	343	2016
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	313	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	277	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	275	2016
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	262	2008
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	261	2012

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