Use of molecular dynamics fingerprints (MDFPs) in SAMPL6 octanol-water log P blind challenge

Shuzhe Wang, Sereina Riniker. Use of molecular dynamics fingerprints (MDFPs) in SAMPL6 octanol-water log P blind challenge. Journal of Computer-Aided Molecular Design, 34(4):393-403, 2020. [doi]

Abstract

Abstract is missing.