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Prediction for biodegradability of chemicals by an empirical flowchart

Authors
Journal
Chemosphere
0045-6535
Publisher
Elsevier
Publication Date
Volume
41
Issue
11
Identifiers
DOI: 10.1016/s0045-6535(00)00056-4
Keywords
  • Biodegradation
  • Empirical Model
  • Functional Group
  • Substructure
Disciplines
  • Chemistry

Abstract

Abstract A method for predicting aerobic biodegradability of chemicals was developed based on empirical knowledge. A flowchart was derived from rule of thumb relationships 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 biodegradable and not predictable. It was validated by using MITI data of 177 mono benzene derivatives and 168 acyclic compounds, resulting in correct prediction at 94% and 88% levels, respectively.

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