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ecc6
2010 Oct 13
1
Pipeline pilot fingerprint package
Hi,
I am trying to see if I can use R to perform more rigorous regression analysis. I wonder if the fingerprint package is able to handle pipeline pilot fingerprints (ECFC6 etc) now.
Thank you,
Eric
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2010 Oct 15
0
nomianl response model
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On Tue, Oct 12, 2010 at 8:54 PM, Eric Hu <Eric.Hu at gilead.com> wrote:
> Hi,
>
> I am trying to see if I can use R to perform more rigorous regression
> analysis. I wonder if the fingerprint package is able to handle pipeline
> pilot fingerprints (ECFC6 etc) now.
Currently no - does Pipeline Pilot out put their ECFP's in a standard
format? if so can you send me an example file? (Asuming they output
fp's for a single molecule on a single row, you could implement your
own line parse and supply it via the lf argument in fp.read. See
cdk.lf,...