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. Author manuscript; available in PMC: 2021 Apr 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Feb 27;34(4):335–370. doi: 10.1007/s10822-020-00295-0

Table 2. Methods used as reference calculations for the empirical log P prediction category.

Please see section 12.1.3 in the Supplementary Information for a detailed description of empirical methods.

Submission ID Name Vendor Approach Website
REF09 clogP (BioByte) BioByte group contributions www.biobyte.com
REF13 SlogP(MOE) Chemical Computing Group atomic contributions www.chemcomp.com
REF11 logP(ow) (MOE) Chemical Computing Group atomic contributions and correction factors www.chemcomp.com
REF10 h_JogP (MOE) Chemical Computing Group QSPR, based on extended Hückel theory descriptors www.chemcomp.com
REF12 MoKaJogP Molecular Discovery QSPR, based on Molecular Interaction Field descriptors www.moldiscovery.com