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Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies
Bauer, Christoph A., Schneider, Gisbert, Göller, Andreas H.Volume:
11
Language:
english
Journal:
Journal of Cheminformatics
DOI:
10.1186/s13321-019-0381-4
Date:
December, 2019
File:
PDF, 2.50 MB
english, 2019