LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge molecules
Guan, Davy, Lui, Raymond, Matthews, SladeLanguage:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-020-00278-1
Date:
January, 2020
File:
PDF, 2.30 MB
english, 2020