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Physical Chemistry

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Theoretical and Computational Chemistry

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Log P

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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

682

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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

559

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