Clues to quality of journals
Open Access Policy of Helmholtz Association 2016
CC Licencences
Publication Metrics
Home
Deutsch
New EVA Application
Advanced Search
Browse by ...
Publication overview
Statistics (last 5 years)
OA Publications
Submit Publication
Import publication from...
Report missing publication
Contact persons
Help
Text
Endnote (RIS)
BibTeX
DOI
 |
|
Open Access Green as soon as Postprint is submitted to ZB.
Attempts to classify QSARs with respect to their validity: vapour pressure estimation as an example.
Sci. Total Environ. 134, 1409-1419 (1993)
A method is developed to classify QSARs or PPRs according to their validity, with the validity given in terms of applicability and accuracy. As a first step, test sets of chemicals are classified with respect to the presence or non-presence of 15 structural elements by use of a bit-pattern. To account for the accuracy, deterministic outliers are defined based on variable confidence intervals. A quality function is introduced that relates the number of outliers to the length of that interval. Characteristic features of this quality function may be used to classify a QSAR or PPR together with quantities describing the test set. Estimations of vapour pressure for large test sets (N = 360) from two property-property relationships are given as examples. Quality functions are discussed for the complete test sets as well as for specific subsets.
Impact Factor
Scopus SNIP
Scopus
Cited By
Cited By
Altmetric
0.000
0.000
5
Annotations
Special Publikation
Hide on homepage
Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Quality Function ; Validity Of Property-property Relationships ; Vapour Pressure Estimations
Language
english
Publication Year
1993
HGF-reported in Year
0
ISSN (print) / ISBN
0048-9697
e-ISSN
1879-1026
Quellenangaben
Volume: 134,
Issue: SUPPL. 2,
Pages: 1409-1419
Publisher
Elsevier
Reviewing status
Peer reviewed
Institute(s)
Institute of Ecological Chemistry (IOEC)
Scopus ID
0027731207
Erfassungsdatum
1993-12-31