|
|
Laboratory
for ChemoMetrics Vienna
University of Technology (Austria) |
Draft
Software/Data
for Use of R in Chemometrics/Chemoinformatics
rdCV.ZIP (repeated double Cross Validation, software,
docu, demo data) [Updated 140214 for R 3.0.2]
QSPR example for R (data, software,
user guide, rdCV)
[Updated 140214
for R 3.0.2]
R
library chemometrics (PDF
of vignette), containing R-functions for chemometrics;
also
explained in the Book:
K. Varmuza and P. Filzmoser
(2009)
Multivariate
statistical analysis in chemometrics