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Applicability domain for classification problems., , , , and . J. Cheminformatics, 2 (S-1): 41 (2010)OCHEM - on-line CHEmical database & modeling environment., , , , , , and . J. Cheminformatics, 2 (S-1): 5 (2010)Efficient Partition of Learning Data Sets for Neural Network Training., and . Neural Networks, 10 (8): 1361-1374 (1997)Internet Software for the Calculation of the Lipophilicity and Aqueous Solubility of Chemical Compounds., , , and . 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., and . Neurocomputing, (2001)Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis., , , and . CoRR, (2020)Éclair - a web service for unravelling species origin of sequences sampled from mixed host interfaces., and . Nucleic Acids Res., 33 (Web-Server-Issue): 724-727 (2005)Focused Library Generator: case of Mdmx inhibitors., , , and . J. Comput. Aided Mol. Des., 34 (7): 769-782 (2020)Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition., , , and . J. Cheminformatics, 16 (1): 39 (December 2024)The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS., , and . J. Cheminformatics, 8 (1): 2:1-2:18 (2016)