APPLICATION OF FORMAL CONCEPT ANALYSIS TO STRUCTURE-ACTIVITY-RELATIONSHIPS

Authors
BARTEL HG BRUGGEMANN R
Citation
Hg. Bartel et R. Bruggemann, APPLICATION OF FORMAL CONCEPT ANALYSIS TO STRUCTURE-ACTIVITY-RELATIONSHIPS, Fresenius' journal of analytical chemistry, 361(1), 1998, pp. 23-28
Citations number
32
Categorie Soggetti
Chemistry Analytical
Journal title
Fresenius' journal of analytical chemistry → ACNP
ISSN journal
09370633
Volume
361
Issue
1
Year of publication
1998
Pages
23 - 28
Database
ISI
SICI code
0937-0633(1998)361:1<23:AOFCAT>2.0.ZU;2-4
Abstract
An alternative method to perform structure activity relationships will be presented. This method is based on Discrete Mathematics, i.e. on c oncept lattice theory. Exploring a chemical data matrix, this mathemat ical method allows the derivation of ''if-then''-rules. For example it can be hypothesized that a specific chlorinated alkane will pose a hi gh toxic potential towards algae and will have a slight tendency for v olatilization.