First selective CDK16 inhibitors via docking-ML regression

Apr 6, 2026Sources

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Featured

Computer-aided discovery of CDK16 inhibitors: a docking-augmented machine learning regression modelling approach.
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Peer-reviewed journal source; Core venue: Journal of Computer-Aided Molecular Design; Domain relevant (4 hits): drug discovery, virtual screening, QSAR, pharmacophore; AIDD core boost (3 hits): drug discovery, virtual screening, pharmacophore; Priority topic: binding and screening

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