Disscussion of the consequences of
the use of PLS-methods in preclinical and pharmaceutical research
Tomas Morsing
Astra Hässle AB
Dietrich von Rosen
Uppsala University
Rolf Sundberg
Stockholm University
Abstract
We will present three application areas where Partial Least Square
(PLS) and similar regression methods are oftenly used by chemists,
namely multivariate calibration, QSAR quantitative structural activety
relationship and as a method of fittning response surfaces to designed
data. During this session we will briefly present these methods and what
is theoretically known about them. In the context of these application
areas we will discuss the pros and cons of using these methods.