Computational physics is the study of scientific problems using computational methods,it com￾bines computer science , physics and applied mathematics to develop scientific solutions to com￾plex problems.So computational physics and Chemometrics is concerned with the analysis of data arising in Chemistry and Physics experiments, as well as the simulation of physico-chemico systems. Many of the functions in base R are useful for these ends. Partial least squares is an efficient statistical regression technique used in modelling of industrial applications and in the analysis of chemical and spectral data. The PLS package carries out both partial least squares regression (PLSR) and principal component regression (PCR) in R which is freely available from the Comprehensive R Archive Network (CRAN).