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Journal of Chemical Information and Modeling|August 11, 2012
ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactionsIurii Sushko, Elena Salmina, Vladimir A Potemkin, et al.Molecular Informatics|December 1, 2018
A Survey of Multi-task Learning Methods in ChemoinformaticsSergey Sosnin, Mariia Vashurina, Michael Withnall, et al.Computational Biology and Chemistry|July 26, 2005
Exploiting scale-free information from expression data for cancer classificationAlexey V Antonov, Igor V Tetko, Denis Kosykh, et al.Journal of Chemical Information and Modeling|March 27, 2007
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?Alexandre Varnek, Natalia Kireeva, Igor V Tetko, et al.Alternatives to Laboratory Animals : ATLA|April 30, 2014
Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN methodMatteo Cassotti, Davide Ballabio, Viviana Consonni, et al.Journal of Cheminformatics|December 30, 2014
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization processYurii Sushko, Sergii Novotarskyi, Robert Körner, et al.Chemical Research in Toxicology|January 29, 2021
Trade-off Predictivity and Explainability for Machine-Learning Powered Predictive Toxicology: An in-Depth Investigation with Tox21 Data SetsLeihong Wu, Ruili Huang, Igor V Tetko, et al.Combinatorial Chemistry & High Throughput Screening|March 10, 2015
Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity TestingAhmed Abdelaziz, Yurii Sushko, Sergii Novotarskyi, et al.Chemical Research in Toxicology|April 28, 2016
ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I ModelSergii Novotarskyi, Ahmed Abdelaziz, Yurii Sushko, et al.Bioinformatics (Oxford, England)|January 5, 2008
Beyond the 'best' match: machine learning annotation of protein sequences by integration of different sources of informationIgor V Tetko, Igor V Rodchenkov, Mathias C Walter, et al.Pageof 15