Published September 2006
Table of Contents
Contributed Research Articles
Non-linear regression for optimising the separation of carboxylic acids (pp. 2-7)
Peter Watkins, Bill Venables
The pls package (pp. 12-17)
Bjørn-Helge Mevik
Some applications of model-based clustering in chemistry (pp. 17-23)
Chris Fraley, Adrian E. Raftery
Mapping databases of X-ray powder patterns (pp. 24-28)
Ron Wehrens, Egon Willighagen
Generating, using and visualizing molecular information in R (pp. 28-33)
Rajarshi Guha