ClassicalGSG: Prediction of logP using classical molecular force fields and geometric scattering for graphs

Nazanin Donyapour, Matthew J. Hirn, Alex Dickson. ClassicalGSG: Prediction of logP using classical molecular force fields and geometric scattering for graphs. Journal of Computational Chemistry, 42(14):1006-1017, 2021. [doi]

Abstract

Abstract is missing.