[R] Help me

From: Nitish Kumar Mishra <nitish_at_imtech.res.in>
Date: Wed, 19 Dec 2007 16:46:56 +0530 (IST)


Hello R Users,

    I am interested in using R to generate quantitative structure-activity relationships (QSARs) for small molecules given a set of molecular descriptors and biological data tab-delimited or excel file. In which fist value colum of each row is biological value and rest all are its descriptors.

    Has anyone done this using R ? Would you be willing to share your R scripts (or ideas) for doing this with me ? I am particularly interested in R codes for optimizing variable selection as well as validation of the generated QSAR equations, since I have ~ 1500 molecular descriptors per molecule. How I can use R to find the optimal (smallest) set of descriptors to fit the data ? If you have any idea about this using other software the please also suggest me.
I am a new user of R. I am trying to use R for this. Please reply me at this mail ID because I have not joined R help group. Thanking you

-- 
Nitish Kumar Mishra
SRF, BIC, IMTECH,
Chandigarh, India
E-Mail Address:
nitish_km_at_yahoo.com
nitish_at_imtech.res.in

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Received on Wed 19 Dec 2007 - 11:26:10 GMT

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