Machine learning in drug discovery - Nature Biotechnology

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Machine learning in drug discovery - Nature Biotechnology
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Recent patents relating to machine learning in drug discovery and screening

A high-throughput virtual drug-screening system based on molecular fingerprints and deep learning, which includes a deep-learning model online-modeling subsystem and an online virtual-screening subsystem.US2022351053A1

A system and method for feedback-driven automated drug discovery that combines machine learning algorithms with automated research facilities and equipment, comprising automated research equipment configured to perform automated assays of chemical compounds; a data platform comprising drug databases and an analysis engine; a bioactivity and de novo modules operating on the data platform; and a retrosynthesis system operating on the drug discovery platform.

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