Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG method

Donyapour, N; Dickson, A

Dickson, A (corresponding author), Michigan State Univ, Dept Computat Math Sci & Engn, E Lansing, MI 48824 USA.; Dickson, A (corresponding author), Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2021; 35 (7): 819

Abstract

The prediction of log P values is one part of the statistical assessment of the modeling of proteins and ligands (SAMPL) blind challenges. Here, we us......

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