PCA analysis of the PQRI database (H-S model)

[Rob Burgess]

Hi All,

I'm just wondering if there have been any attempts at applying principal component analysis (PCA) to the PQRI databse (http://www.usp.org/app/USPNF/columnsDB.html) which itself is based on the Snyder-Dolan Hydrophobic Subtraction (H-S) model. I know that researchers have applied PCA to other column databses, but to the best of my knowledge I haven't found any applied to the most comprehensive database (PQRI).

[ddycus]

I'm not sure about the PWRI database. However metaboanalyst.ca is doing this on the fly with raw MS data. Here is the protocol from last summer.

http://onlinelibrary.wiley.com/doi/10.1002/0471250953.bi1410s34/abstract

Dan