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"Machine learning models for hydrogen bond donor and acceptor strengths ..."
Christoph Alexander Bauer, Gisbert Schneider, Andreas H. Göller (2019)
- 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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