Hello
colleagues, I know
ACDlabs has software to predict thermodynamic solubility at a given pH
(NOT intrinsic solubility). Maybe ChemDBSoft and SPARC have that, too? I
am trying to find study reports (preferably independent, peer-reviewed
publications) on the quality of the ACDlabs' model and ideally a comparison with
other tools. On our
limited in-house dataset, ACDlabs works very well (pH3) and fairly decently
(pH7.4), but I would like to know how it performs on a larger dataset.
Thanks,
Pieter Pieter
Stouten, PhD Sr. Research Fellow Hit
Finding Galapagos NV Generaal De
Wittelaan L11 A3 2800 Mechelen,
Belgium Cell: +32-473-868
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