"Machine learning models for hydrogen bond donor and acceptor strengths ..."

Christoph Alexander Bauer, Gisbert Schneider, Andreas H. Göller (2019)

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DOI: 10.1186/S13321-019-0381-4

access: open

type: Journal Article

metadata version: 2020-05-30

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Christoph Alexander Bauer, Gisbert Schneider, Andreas H. Göller:
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies. J. Cheminformatics 11(1): 59:1-59:16 (2019)

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