CDK has logP descriptors: ALOGPDescriptor, MannholdLogPDescriptor, and XLogPDescriptor
> On Jul 9, 2017, at 5:08 PM, Yannick .Djoumbou <y.djoum...@gmail.com> wrote: > > Hey all, > > I am looking for a tool to compute the LogD for various compounds. I could > not find any function/module that computes this property. Is there one? If > not, what would you recommend as a freely accessible library that computes > the LogD? > > Thanks, > Yannick > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! > http://sdm.link/slashdot_______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
