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Christoph Alexander Bauer
ORCID
Publication Activity (10 Years)
Years Active: 2017-2019
Publications (10 Years): 3
Top Topics
Machine Learning Models
Computationally Expensive
Training Examples
Probability Ranking Principle
Top Venues
J. Comput. Chem.
J. Cheminformatics
J. Chem. Inf. Model.
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Publications
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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) (2019)
Christoph Alexander Bauer
How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum Chemistry.
J. Chem. Inf. Model.
59 (9) (2019)
Philipp Pracht
,
Christoph Alexander Bauer
,
Stefan Grimme
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites.
J. Comput. Chem.
38 (30) (2017)