[R] Help me

Nitish Kumar Mishra nitish at imtech.res.in
Wed Dec 19 12:16:56 CET 2007

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

    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
Chandigarh, India
E-Mail Address:
nitish_km at yahoo.com
nitish at imtech.res.in

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