Prediction for biodegradability of chemicals by an empirical flowchart

Citation
K. Hiromatsu et al., Prediction for biodegradability of chemicals by an empirical flowchart, CHEMOSPHERE, 41(11), 2000, pp. 1749-1754
Citations number
17
Categorie Soggetti
Environment/Ecology
Journal title
CHEMOSPHERE
ISSN journal
00456535 → ACNP
Volume
41
Issue
11
Year of publication
2000
Pages
1749 - 1754
Database
ISI
SICI code
0045-6535(200012)41:11<1749:PFBOCB>2.0.ZU;2-B
Abstract
A method for predicting aerobic biodegradability of chemicals was developed based on empirical knowledge, A flowchart was derived from rule of thumb r elationships between the biodegradability and the number of the functional groups and substructures in a certain skeletal structure of chemicals. The flowchart classified chemicals into readily biodegradable, not readily biod egradable and not predictable. It was validated by using MITI data of 177 m ono benzene derivatives and 168 acyclic compounds, resulting in correct pre diction at 94% and 88% levels, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.