Prediction for biodegradability of chemicals by an empirical flowchart.
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.
Hiromatsu
K
K
Chemicals Assessment Center, Chemicals Evaluation and Research Institute, Fukuoka, Japan. koichi-hiromatsu@kurume.cerij.or.jp
Yakabe
Y
Y
Katagiri
K
K
Nishihara
T
T
D000332:Aerobiosis; D001555:Benzene Derivatives / Q000737:chemistry / Q000378:metabolism; D001673:Biodegradation, Environmental; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D013329:Structure-Activity Relationship
D001555:Benzene Derivatives