integration of spotfire and pdb viewer

Some years ago, I heard a presentation about implementation of pdb viewer in spotfire in JCUP. It was really impressive for me because spotfire can not handle PDB files. You know, spotfire is one of the popular tool for data visualization. I like the tool. Recently I found unique library for spotfire named ‘JSViz’. TheContinue reading “integration of spotfire and pdb viewer”

Get distance matrix via tibco spotfire.

I often calculate molecular distance matrix or similarity matrix. Distance matrix is useful for visualise molecular similarity but some time it is bother to calculate it. Today I wrote data function that calculate distance matrix for molecular set. There are not native function to calculate that in Spotfire. And RCDK can not install TERR. So,Continue reading “Get distance matrix via tibco spotfire.”

Calculate PK param. using TIBCO Spotfire?

Somedays ago,my colleague asked me how to calculate PK parameters in TIBCO Spotfire ? Hmm. That’s sounds difficult, because Spotfire is not tool for analyse DMPK data. But, there are some packages in CRAN for DMPK. So I thought that using TERR, some PK params could calculate. Let’s do it. ;-) At first I installedContinue reading “Calculate PK param. using TIBCO Spotfire?”

Implementation of machine learning in Spotfire.

Today I coded for functions that predict molecular property using e1071. Following code is almost pure R, but the code get data from Spotifre. So, users don’t need to think about R coding. User can build model and predict data only using spotfire. At first I get sample data in from Bursi Mutagenicity Dataset(link). ConvertContinue reading “Implementation of machine learning in Spotfire.”

ggplot with spotfire

ggplot2 is nice tool for visualise data in R. TIBCO Spotfire does not have density plot function. So, I implemented density plot in spotfire. I did it using RinR function and ggplot2. * This is simple sample. In spotfire data function, I wrote following… “idx” is column name which you want plot In Spotfire’s input tab,Continue reading “ggplot with spotfire”