Rj. Gilbert et al., GENETIC PROGRAMMING - A NOVEL METHOD FOR THE QUANTITATIVE-ANALYSIS OFPYROLYSIS MASS-SPECTRAL DATA, Analytical chemistry, 69(21), 1997, pp. 4381-4389
A technique for the analysis of multivariate data by genetic programmi
ng (GP) is described, with particular reference to the quantitative an
alysis of orange juice adulteration data collected by pyrolysis mass s
pectrometry (PyMS). The dimensionality of the input space was reduced
by ranking variables according to product moment correlation or mutual
information with the outputs. The GP technique as described gives pre
dictive errors equivalent to, if not better than, more widespread meth
ods such as partial least squares and artificial neural networks but a
dditionally can provide a means for easing the interpretation of the c
orrelation between input and output variables. The described applicati
on demonstrates that by using the GP method for analyzing PyMS data th
e adulteration of orange juice with 10% sucrose solution can be quanti
fied reliably over a 0-20% range with an RMS error in the estimate of
similar to 1%.