make 3d PCA plot

I often use PCA(principal component analysis) to reduce dimension. I do PCA using Python sklearn or R language. Basic function of R “biplot” makes 2D chart. It’s easy way to make biplot. Today I found cool library of R, named “pca3d”. Install is easy! Just type following command. Now make chart. I used iris dataContinue reading “make 3d PCA plot”

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PKPD in R.

You know, to drug development understanding PKPD is important. I’m not DMPK dept. but I think it’s better to know about basic PKPD theory. There are some packages about pkpd analysis in R. And I found cool library developed ronkeiser named “PKPDsim”. http://ronkeizer.github.io/PKPDsim/ This library can integrate shiny, so user can calculate PKPD on theContinue reading “PKPD in R.”

Admin portal about MongoDB

I use mongodb to make MMP-DB. MongoDB is noSQL, and flexible database program. Also I use postgresSQL. PostgresSQL has pgAdmin to provide adminportal for administrator. It’s useful for me. I wonder if I could use Adminportal in mongDB too. I searched web, and I found it. You know, mongo-exporess is one of the app thatContinue reading “Admin portal about MongoDB”

Metrics for Drug likeness

There are some indexes about drug likeness. Of course, I sometime use LE, LLE for lead optimization. Recently QED is new metrics for estimation of drug likeness. Which parameters do you like ? I read following paper that reported Patrick Barton et. al. It’s interesting for me. http://www.sciencedirect.com/science/article/pii/S1359644615003505 The author proposed new index named “AEI”Continue reading “Metrics for Drug likeness”