Synergies Between Quantum Mechanics and Machine Learning in Reaction Prediction.

Sadowski, Peter

Synergies Between Quantum Mechanics and Machine Learning in Reaction Prediction. [electronic resource] - Journal of chemical information and modeling 11 2016 - 2125-2128 p. digital

Publication Type: Research Support, U.S. Gov't, Non-P.H.S.; Letter

1549-960X

10.1021/acs.jcim.6b00351 doi


Machine Learning
Models, Molecular
Molecular Conformation
Quantum Theory
Thermodynamics