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Applicability domain for classification problems., , , , и . J. Cheminformatics, 2 (S-1): 41 (2010)OCHEM - on-line CHEmical database & modeling environment., , , , , , и . J. Cheminformatics, 2 (S-1): 5 (2010)Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis., , , и . CoRR, (2020)Éclair - a web service for unravelling species origin of sequences sampled from mixed host interfaces., и . Nucleic Acids Res., 33 (Web-Server-Issue): 724-727 (2005)Focused Library Generator: case of Mdmx inhibitors., , , и . J. Comput. Aided Mol. Des., 34 (7): 769-782 (2020)Internet Software for the Calculation of the Lipophilicity and Aqueous Solubility of Chemical Compounds., , , и . Journal of Chemical Information and Computer Sciences, 41 (2): 246-252 (2001)Pattern grouping algorithm and de-convolution filtering of non-stationary correlated Poisson processes., и . Neurocomputing, (2001)Efficient Partition of Learning Data Sets for Neural Network Training., и . Neural Networks, 10 (8): 1361-1374 (1997)Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition., , , и . J. Cheminformatics, 16 (1): 39 (декабря 2024)PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables., , , и . Journal of Chemical Information and Modeling, 52 (4): 975-983 (2012)