Re: [Open Babel] PAINS filtering (mirix)

2016-03-15 Thread Geoffrey Hutchison
> Have a look at http://www.macinchem.org/reviews/pains/painsFilter.php This reminds me that we should integrate the Silicos tools into the main OB distribution. Thanks, -Geoff -- Transform Data into Opportunity.

Re: [Open Babel] PAINS filtering (mirix)

2016-03-15 Thread Chris Swain
Have a look at http://www.macinchem.org/reviews/pains/painsFilter.php Cheers Chris > On 15 Mar 2016, at 12:10, openbabel-discuss-requ...@lists.sourceforge.net > wrote: > > Send OpenBabel-discuss mailing list submissions to > openbabel-discuss@lists.sourceforge.net > > To subscribe or