Prediction for biodegradability of chemicals by an empirical flowchart

被引：21

作者：

Hiromatsu, K

Yakabe, Y

Katagiri, K

Nishihara, T

机构：

[1] Chem Evaluat & Res Inst, Chem Assessment Ctr, Kurume, Fukuoka 8300023, Japan

[2] Osaka Univ, Grad Sch Pharmaceut Sci, Suita, Osaka 5650871, Japan

来源：

CHEMOSPHERE | 2000年 / 41卷 / 11期

关键词：

biodegradation; empirical model; functional group; substructure;

D O I：

10.1016/S0045-6535(00)00056-4

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

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. (C) 2000 Elsevier Science Ltd. All rights reserved.

引用

页码：1749 / 1754

页数：6