Igor V. Tetko

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$Vsevolod Y. Tanchuk \ Всеволод Танчук$ Vsevolod Y. Tanchuk \ Всеволод Тан...IBOPC, Інститут біоорганічної хімії та нафтохімії НАН УкраїниEmail verificata su bpci.kiev.ua
David John LivingstoneScientific ConsultantEmail verificata su chemquestuk.com
Gennady PodaPhD, Scientific Advisor & Group Leader, Computational Chemistry and Chemoinformatics, OICREmail verificata su oicr.on.ca
Werner MewesProfessor of Bioinformatics (retired), Technische Univ. MünchenEmail verificata su mytum.de
Yurii SushkoGoogleEmail verificata su google.com
Alexandre VarnekProfessor of Chemistry, University of StrasbourgEmail verificata su unistra.fr
Sergii NovotarskyiFacebookEmail verificata su fb.com
$Vasyl Kovalishyn \ Ковалішин Василь Володимирович$ Vasyl Kovalishyn \ Ковалішин Василь...V.P. Kukhar Institute of Bioorganic Chemistry and Petroсhemistry, NAS of Ukraine, PhD, SeniorEmail verificata su bpci.kiev.ua
Tomas ÖbergProfessor Emeritus (Ret.)Email verificata su lnu.se
Pavel KarpovResearcher, Moscow State University, Chemistry departmentEmail verificata su qsar.chem.msu.ru
Dr. Guillaume GodinGenevaEmail verificata su firmenich.com
Paola GramaticaFull Professor of Environmental Chemistry, Senior Prof.,Insubria University, Varese, ItalyEmail verificata su uninsubria.it
Alexander Makarenko /Oleksandr Mak...National Technical University of Ukraine "KPI"Email verificata su kpi.ua
Ester PapaAssociate Professor, University of InsubriaEmail verificata su uninsubria.it
Igor I. BaskinDepartment of Materials Science and Engineering, Technion - Israel Institute of TechnologyEmail verificata su technion.ac.il
Alexander TropshaProfessor at UNC-Chapel HillEmail verificata su unc.edu
Roberto TodeschiniUniversity of Milano-Bicocca - Honorary professor of chemometricsEmail verificata su unimib.it
Ahmed AbdelazizConsultant, Rosettastein ConsultingEmail verificata su amaziz.com
Peijnenburg WillieRIVM - Center for Safety of Substances and ProductsEmail verificata su rivm.nl
Marco R. CelioEmeritus, Professor of Histology and Embryology, University of FribourgEmail verificata su unifr.ch

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Igor V. Tetko

BIGCHEM GmbH & Helmholtz Munich

Email verificata su helmholtz-munich.de - Home page

Chemoinformatics Cheminformatics QSPR QSAR Computer Science


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	637	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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