Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Over 3 years

(2)

Keywords

log P

Authors

2 results in Keywords: log P

Physical Chemistry

Predicting Octanol/water Partition Coefficients Using Molecular Simulation for the SAMPL7 Challenge: Comparing the Use of Neat and Water Saturated 1-Octanol

Spencer J. Sabatino, Andrew Paluch

Version 1 posted 05 May 2021

664

Downloads

Theoretical and Computational Chemistry

ClassicalGSG: Prediction of logP Using Classical Molecular Force Fields and Geometric Scattering for Graphs

Nazanin Donyapour, Matthew Hirn, Alex Dickson

Version 1 posted 19 November 2020

546

Downloads