THE APPLICATION OF BAYES THEOREM IN NATURAL-PRODUCTS AS A GUIDE FOR SKELETONS IDENTIFICATION

Authors
EMERENCIANO VD FERREIRA MJP BRANCO MD DUBOIS JE
Citation
Vd. Emerenciano et al., THE APPLICATION OF BAYES THEOREM IN NATURAL-PRODUCTS AS A GUIDE FOR SKELETONS IDENTIFICATION, Chemometrics and intelligent laboratory systems, 40(1), 1998, pp. 83-92
Citations number
69
Categorie Soggetti
Computer Science Artificial Intelligence","Robotics & Automatic Control","Instument & Instrumentation","Chemistry Analytical","Computer Science Artificial Intelligence","Robotics & Automatic Control
Journal title
Chemometrics and intelligent laboratory systems → ACNP
ISSN journal
01697439
Volume
40
Issue
1
Year of publication
1998
Pages
83 - 92
Database
ISI
SICI code
0169-7439(1998)40:1<83:TAOBTI>2.0.ZU;2-2
Abstract
In this work, we present an application of Bayes' theorem in natural p roducts as a guide for skeletons identification. We wrote an algorithm in PROLOG language, which computes conditional probabilities for find ing skeletons types of sesquiterpene lactones in any taxon, using bota nic information as input. The approach was applied to the Asteraceae f amily, and the results are accurate enough to allow good skeletons ide ntification, even for the most complex chemical compound. The relation ship between our approach and others procedures for skeleton identific ation is briefly discussed. (C) 1998 Elsevier Science B.V. All rights reserved.