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Dear colleague, Just an e-mail to know if they are people working in the field of chemoinformatic that are using R in their work. If yes I was wondering if we couldn't exchange tips and tricks about the use of R in this area ? Best regards Fred Ooms [[alternative HTML version deleted]]

Hello, I am looking for any packages, tutorials, documents,... about the use of R for the analysis of HTS data. Thanks for your help Fred [[alternative HTML version deleted]]

Hello, How could I scale and center the data contained in the attached file since I would like to do this before doing a PCA analysis on them as well as drawing boxplot. <<DB_molprop.txt>> -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: DB_molprop.txt Url:

Hello, Could you tell me if a package exists to perform a binary kernel discrimination using a training set compose of molecules represented by binary fingerprint. This method was first described by Harper in J. Chem. Inf. Comput. Sci 2001 41 1295 and is also described in recent papers published in the same journal by Hert Jerome. I have attached the page describing the BKD method used in the

Dear colleagues, I a m a beginner with R and I would like to add labels (i.e. the variable names) on a pca loading plot to determine the most relevant variables. Could you please tell me the way to do this kind of stuff. The command I use to draw the pca loading plot is the following : Plot(molprop.pc$loading[,1] ~ molprop.pc$loading[,2]) Thanks for your help Fred Ooms

Hi, Another newbie question. Once I have generated a PCA model using the princomp command how can i use it to display a new dataset ? Thanks for your help Fred [[alternative HTML version deleted]]