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