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Chemistry & Biodiversity|November 26, 2009
Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compoundIgor V Tetko, Gennadiy I Poda, Claude Ostermann, et al.Bio Systems|January 14, 1999
Dynamical cell assemblies in the rat auditory cortex in a reaction-time taskA E Villa, B Hyland, I V Tetko, et al.Journal of Chemical Information and Modeling|December 20, 2023
When Yield Prediction Does Not Yield Prediction: An Overview of the Current ChallengesVarvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, et al.Journal of Molecular Graphics & Modelling|April 17, 2007
Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogensVasyl V Kovalishyn, Vladyslav Kholodovych, Igor V Tetko, et al.RSC Advances|May 6, 2022
Chemical space exploration guided by deep neural networksDmitry S Karlov, Sergey Sosnin, Igor V Tetko, et al.Journal of Inorganic Biochemistry|February 22, 2008
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methodsIgor V Tetko, Iwona Jaroszewicz, James A Platts, et al.Journal of Chemical Information and Modeling|April 19, 2018
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS AssaysDipan Ghosh, Uwe Koch, Kamyar Hadian, et al.European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|November 3, 2024
The state-of-the-art machine learning model for plasma protein binding prediction: Computational modeling with OCHEM and experimental validationZunsheng Han, Zhonghua Xia, Jie Xia, et al.Journal of Cheminformatics|April 4, 2024
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuitionPeter B R Hartog, Fabian Krüger, Samuel Genheden, et al.Molecular Informatics|October 22, 2021
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their MechanismDipan Ghosh, Uwe Koch, Kamyar Hadian, et al.Pageof 15