BioinformaticsJournal of Medicinal ChemistryPeer-reviewed
3D Structure-based Generative Small Molecule Drug Design: Are We There Yet?
Bo Yang, Chijian Xiang, Tongtong Li…·Jianing Li
This paper introduces two metrics to evaluate the chemical plausibility of molecules generated by structure-based generative algorithms and compares them to virtual screening hits for three protein targets.
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