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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 [[alternative HTML version deleted]]

...c 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, moe.lf or bci.lf for examples) The other issue is how one evalua...