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    In Silico Estimation of the Safety of Pharmacologically Active Substances Using Machine Learning Methods: A Review

    In Silico Estimation of the Safety of Pharmacologically Active Substances Using Machine Learning Methods: A Review by V. V. Poroikov, A. V. Dmitriev, D. S. Druzhilovskiy, S. M. Ivanov, A. A. Lagunin, P. V. Pogodin, A. V. Rudik, P. I. Savosina, O.  A. Tarasova, D. A. Filimonov

    Published 2023-12-01

    Scientific relevance. Currently, machine learning (ML) methods are widely used in the research and development of new pharmaceuticals. ML methods are particularly important for assessing the safety of pharmacologically active substances early in the research process because such safety assessments s...

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