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Multivariate analysis in reaction mechanism studies
Author(s) -
Leeson Frederick,
Lundstedt Torbjörn,
Lejon Tore
Publication year - 2006
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.1013
Subject(s) - selection (genetic algorithm) , computer science , multivariate statistics , simple (philosophy) , chemometrics , biochemical engineering , design of experiments , factorial experiment , data mining , machine learning , mathematics , statistics , engineering , philosophy , epistemology
It has been demonstrated that it is possible, by applying statistical methods to a relatively simple factorial design, to resolve complex multi‐products systems in an efficient manner. Such a design is shown to permit selection of worthwhile synthetic candidates as well as determining, with the minimum use of resources, which products are not optimisable in the synthetic system concerned. Copyright © 2007 John Wiley & Sons, Ltd.