Multiproperty Deep Learning of the Correlation Energy of Electrons and the Physicochemical Properties of Molecules

The density-based descriptors from the information-theoretic approach (ITA) are used as features for multiproperty deep learning (DL), predicting the correlation energy and physicochemical properties of molecules. In addition to response properties (molecular polarizability α_iso and NMR shielding constant σ_iso) where ITA has been shown to work well before, we consider four conceptually distinct but practically related concepts: electron …