Thanks Simon! On Wed, Aug 26, 2015 at 10:35 AM, Simon Saubern <[email protected]> wrote:
> I have the original Sybyl output from Johnathan. It's not in the most > friendly format. All I did was run a few sed commands past it to extract > the ID numbers, and also compile some frequency tables v. PAINS query. > > I've sent a zip file to you directly. > > Simon > > On 26/08/2015 15:20 , Greg Landrum wrote: > > Thanks for that. > Do you have a version that says which of the molecules hit which PAINS? > That would really help with the refinement. > > -greg > > > > -- > > CSIRO Manufacturing Flagship, phone: +61 3 9545-2222 > Bag 10, fax: +61 3 9545-2453 > Clayton South VIC 3169, http://www.csiro.au/manufacturing > Australia mailto:[email protected] > <[email protected]> > >
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