Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas

Diogo Santos-Martins, Pedro Alexandrino Fernandes, Maria João Ramos. Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas. Journal of Computer-Aided Molecular Design, 30(11):1079-1086, 2016. [doi]

Abstract

Abstract is missing.