pith. sign in

arxiv: 1510.07512 · v3 · pith:KQC3MJY6new · submitted 2015-10-26 · ⚛️ physics.chem-ph

Machine Learning, Quantum Mechanics, and Chemical Compound Space

classification ⚛️ physics.chem-ph
keywords chemicallearningmachinemodelsquantumspacechemistrycompound
0
0 comments X
read the original abstract

We review recent studies dealing with the generation of machine learning models of molecular and solid properties. The models are trained and validated using standard quantum chemistry results obtained for organic molecules and materials selected from chemical space at random.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.