Laboratory for ChemoMetrics


Institute of Chemical Engineering

Vienna University of Technology (Austria)


Under construction


Software/Data for Use of  R  in Chemometrics/Chemoinformatics




rdCV  (repeated double Cross Validation, software, docu and demo data, by LCM) [Updated 140214 for R 3.0.2]


QSPR example for R (data, software, user guide, rdCV, by LCM)  [Updated 140214 for R 3.0.2]




R library chemometrics (PDF of vignette), in collaboration with LCM





R              Cran Task Views               R Journal


Thanks for your interest !                   Kurt Varmuza     2014-02-14