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BMC Bioinformatics|April 5, 2005
Super paramagnetic clustering of protein sequencesIgor V Tetko, Axel Facius, Andreas Ruepp, et al.Bio Systems|February 13, 2001
Non-linear cortico-cortical interactions modulated by cholinergic afferences from the rat basal forebrainA E Villa, I V Tetko, P Dutoit, et al.Computational Biology and Chemistry|August 8, 2008
FunCat functional inference with belief propagation and feature integrationDimitrij Surmeli, Oliver Ratmann, Hans-Werner Mewes, et al.Fungal Genetics and Biology : FG & B|January 16, 2007
Separation of sequences from host-pathogen interface using triplet nucleotide frequenciesJeppe Emmersen, Stephen Rudd, Hans-Werner Mewes, et al.Journal of Pharmaceutical Sciences|August 8, 2008
Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compoundsRaimund Mannhold, Gennadiy I Poda, Claude Ostermann, et al.Journal of Chemical Information and Modeling|December 28, 2018
Comparative Study of Multitask Toxicity Modeling on a Broad Chemical SpaceSergey Sosnin, Dmitry Karlov, Igor V Tetko, et al.Proceedings of the National Academy of Sciences of the United States of America|February 3, 1999
Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned taskA E Villa, I V Tetko, B Hyland, et al.Chemosphere|July 27, 2015
Identifying potential endocrine disruptors among industrial chemicals and their metabolites--development and evaluation of in silico toolsAleksandra Rybacka, Christina Rudén, Igor V Tetko, et al.Nature Communications|November 5, 2020
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesisIgor V Tetko, Pavel Karpov, Ruud Van Deursen, et al.Journal of Cheminformatics|January 12, 2021
GEN: highly efficient SMILES explorer using autodidactic generative examination networksRuud van Deursen, Peter Ertl, Igor V Tetko, et al.Pageof 15