Igor V. Tetko
Igor V. Tetko
Verified email at helmholtz-muenchen.de - Homepage
TitleCited byYear
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
13352005
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
11962004
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
7382007
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
6381995
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
4662002
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
4292009
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
3912005
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
3702001
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
3332001
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
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
2892008
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
2502006
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
2452011
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
2422008
Computing chemistry on the web
IV Tetko
Drug discovery today 10 (22), 1497-1499, 2005
2132005
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
1852008
Neural network studies. 4. Introduction to associative neural networks
IV Tetko
Journal of chemical information and computer sciences 42 (3), 717-728, 2002
1842002
Neural network studies. 2. Variable selection
IV Tetko, AEP Villa, DJ Livingstone
Journal of chemical information and computer sciences 36 (4), 794-803, 1996
1761996
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
1662004
In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions
KV Balakin, NP Savchuk, IV Tetko
Current medicinal chemistry 13 (2), 223-241, 2006
1642006
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
1632010
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