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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

F. Schimidt

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Open access 2026

Machine Learning Applied to Aquatic Toxicity and Chemical Reactions of Xenobiotic Compounds

In this work, machine learning and chemoinformatics tools were used in conjunction with the RDKit library to study OH radical chemical reactions in an aquatic environment, and the quantitative structure-activity relationship (QSAR) was used as the basis for a toxicity prediction model.

Dhiully P. S. Silva, Raphael de A. Gomes, L. M. dos Santos et al. · 0 citations

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