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Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products., , , and . J. Cheminformatics, 13 (1): 63 (2021)Poison is Not Traceless: Fully-Agnostic Detection of Poisoning Attacks., , , and . CoRR, (2023)Intriguing Usage of Applicability Domain: Lessons from Cheminformatics Applied to Adversarial Learning., , , , , , and . CoRR, (2021)A comprehensive comparison of molecular feature representations for use in predictive modeling., , , and . Comput. Biol. Medicine, (2021)Targeted Attacks on Time Series Forecasting., , , , , and . PAKDD (4), volume 13938 of Lecture Notes in Computer Science, page 314-327. Springer, (2023)Data Integration for the Development of a Seismic Loss Prediction Model for Residential Buildings in New Zealand., , , and . PKDD/ECML Workshops (2), volume 1168 of Communications in Computer and Information Science, page 88-100. Springer, (2019)Collaborative development of predictive toxicology applications., , , , , , , , , and 24 other author(s). J. Cheminformatics, (2010)Your Best Guess When You Know Nothing: Identification and Mitigation of Selection Bias., , , and . ICDM, page 996-1001. IEEE, (2020)Semi-supervised Conditional Density Estimation with Wasserstein Laplacian Regularisation., , , and . AAAI, page 6746-6754. AAAI Press, (2022)BAARD: Blocking Adversarial Examples by Testing for Applicability, Reliability and Decidability., , , , , , and . PAKDD (1), volume 13935 of Lecture Notes in Computer Science, page 3-14. Springer, (2023)