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Tetko, Igor V.
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ResearcherID: B-1540-2010
URL: http://www.researcherid.com/rid/B-1540-2010
Subject: Chemistry; Computer Science; Environmental Sciences & Ecology
Keywords: cheminformatics; machine learning; computational chemistry; chemoinformatics; qsar; qspr; qsar / qspr
ORCID: http://orcid.org/0000-0002-6855-0012
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Chemoinformatics group, Institute of Structural Biology
Role:
Joint Affiliation:
Past Institutions: King Abdulaziz University (KAU); Moscow Institute of Physics and Technology, MIPT, MFTI, Phystech; Engelhardt Institute of Molecular Biology; Bogomoletz Institute of Physiology; University of Strasbourg; Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine; University of Lausanne
My URLs: http://www.vcclab.org
http://ochem.eu
http://bigchem.eu
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Virtual computational chemistry laboratory - design and description
 Author(s): Tetko, IV; Gasteiger, J; Todeschini, R; et al.
 Source: Journal of Computer-Aided Molecular Design Volume: 19 Issue: 6 Pages: 453-463 Published: JUN 2005
 Times Cited: 814
 DOI: 10.1007/s10822-005-8694-y
added
15-Aug-16
2.  Title: The FunCat, a functional annotation scheme for systematic classification of proteins from whole genomes
 Author(s): Ruepp, A; Zollner, A; Maier, D; et al.
 Source: Nucleic Acids Research Volume: 32 Issue: 18 Pages: 5539-5545 Published: 2004
 Times Cited: 750
 DOI: 10.1093/nar/gkh894
added
15-Aug-16
3.  Title: The Fusarium graminearum genome reveals a link between localized polymorphism and pathogen specialization
 Author(s): Cuomo, Christina A.; Gueldener, Ulrich; Xu, Jin-Rong; et al.
 Source: Science Volume: 317 Issue: 5843 Pages: 1400-1402 Published: SEP 7 2007
 Times Cited: 412
 DOI: 10.1126/science.1143708
added
15-Aug-16
4.  Title: NEURAL-NETWORK STUDIES .1. COMPARISON OF OVERFITTING AND OVERTRAINING
 Author(s): TETKO, IV; LIVINGSTONE, DJ; LUIK, AI
 Source: Journal of Chemical Information and Computer Sciences Volume: 35 Issue: 5 Pages: 826-833 Published: SEP-OCT 1995
 Times Cited: 279
 DOI: 10.1021/ci00027a006
added
15-Aug-16
5.  Title: Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program
 Author(s): Tetko, IV; Tanchuk, VY
 Source: Journal of Chemical Information and Computer Sciences Volume: 42 Issue: 5 Pages: 1136-1145 Published: SEP-OCT 2002
 Times Cited: 255
 DOI: 10.1021/ci025515j
added
15-Aug-16
6.  Title: Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices
 Author(s): Tetko, IV; Tanchuk, VY; Villa, AEP
 Source: Journal of Chemical Information and Computer Sciences Volume: 41 Issue: 5 Pages: 1407-1421 Published: SEP-OCT 2001
 Times Cited: 241
 DOI: 10.1021/ci010368v
added
15-Aug-16
7.  Title: Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of Log P Methods on More Than 96,000 Compounds
 Author(s): Mannhold, Raimund; Poda, Gennadiy I.; Ostermann, Claude; et al.
 Source: Journal of Pharmaceutical Sciences Volume: 98 Issue: 3 Pages: 861-893 Published: MAR 2009
 Times Cited: 213
 DOI: 10.1002/jps.21494
added
15-Aug-16
8.  Title: Estimation of aqueous solubility of chemical compounds using E-state indices
 Author(s): Tetko, IV; Tanchuk, VY; Kasheva, TN; et al.
 Source: Journal of Chemical Information and Computer Sciences Volume: 41 Issue: 6 Pages: 1488-1493 Published: NOV-DEC 2001
 Times Cited: 207
 DOI: 10.1021/ci000392t
added
15-Aug-16
9.  Title: Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: Focusing on applicability domain and overfitting by variable selection
 Author(s): Tetko, Igor V.; Sushko, Iurii; Pandey, Anil Kumar; et al.
 Source: Journal of Chemical Information and Modeling Volume: 48 Issue: 9 Pages: 1733-1746 Published: SEP 2008
 Times Cited: 190
 DOI: 10.1021/ci800151m
added
15-Aug-16
10.  Title: Gene selection from microarray data for cancer classification - a machine learning approach
 Author(s): Wang, Y; Tetko, IV; Hall, MA; et al.
 Source: Computational Biology and Chemistry Volume: 29 Issue: 1 Pages: 37-46 Published: FEB 2005
 Times Cited: 151
 DOI: 10.1016/j.compbiolchem.2004.11.001
added
15-Aug-16
publication(s)  
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