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Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning
ChemistryCommunications Chemistry

Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning

A. Daina and V. Zoete

This research, conducted by Antoine Daina and Vincent Zoete, explores the groundbreaking potential of ligand-based reverse screening to predict macromolecular targets for small molecule drugs. With a machine-learning model achieving over 51% accuracy on external datasets, this study underscores the approach's promise in drug discovery.... show more
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