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Journal of Cheminformatics|December 19, 2020
From Big Data to Artificial Intelligence: chemoinformatics meets new challengesIgor V Tetko, Ola Engkvist
Journal of Medicinal Chemistry|October 29, 2004
Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compoundsIgor V Tetko, Gennadiy I Poda
Journal of Chemical Information and Computer Sciences|October 16, 2002
Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 programIgor V Tetko, Vsevolod Yu Tanchuk
Journal of Cheminformatics|August 9, 2025
Advanced machine learning for innovative drug discoveryIgor V Tetko, Djork-Arné Clevert
Chemmedchem|June 27, 2017
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data PerspectiveMichael Withnall, Hongming Chen, Igor V Tetko
Journal of Cheminformatics|January 17, 2013
Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)Ioana Oprisiu, Sergii Novotarskyi, Igor V Tetko
Molecular Informatics|July 28, 2016
Estimation of Acid Dissociation Constants Using Graph KernelsMatthias Rupp, Robert Körner, Igor V Tetko
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