Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities
Yilin Zhao, Dongbo Zhao, Shubin Liu, Chunying Rong, Paul W. Ayers
Topics & Concepts
Computational chemistryStatistical physicsComputational biologyComputer scienceChemistryPhysicsBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsMolecular spectroscopy and chirality