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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

Crossref DOI link: https://doi.org/10.1186/s13321-019-0381-4

Published Online: 2019-09-11

Published Print: 2019-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

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