QSARs for identifying and prioritizing substances with persistence and bioconcentration potential
- 1 January 2002
- journal article
- Published by Taylor & Francis in SAR and QSAR in Environmental Research
- Vol. 13 (7-8) , 713-725
- https://doi.org/10.1080/1062936021000043454
Abstract
From the 8511 chemicals with 1998 production volumes reported to the U.S. Environmental Protection Agency (U.S. EPA), the TSCA Interagency Testing Committee's (ITC's) Degradation Effects Bioconcentration Information Testing Strategies (DEBITS) was used to identify 56 chemicals. The DEBITS Quantitative Structure-Activity Relationships (QSARs) and the U.S. EPA's PBT profiler QSARs were used to predict the persistence and bioconcentration factors of these 56 chemicals. Partial order ranking was used to prioritise the chemicals based on persistence and bioconcentration potential.Keywords
This publication has 15 references indexed in Scilit:
- The TSCA Interagency Testing Committee, 1977 to 1992: Creation, Structure, Functions and ContributionsPublished by ASTM International ,2009
- QSAR's based on partial order rankingSAR and QSAR in Environmental Research, 2002
- Partial order ranking-based QSAR’s: estimation of solubilities and octanol–water partitioningChemosphere, 2001
- The Use of Hasse Diagrams as a Potential Approach for Inverse QSARSAR and QSAR in Environmental Research, 2001
- Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficientEnvironmental Toxicology and Chemistry, 1999
- Group contribution method for predicting probability and rate of aerobic biodegradationEnvironmental Science & Technology, 1994
- Computer estimation of the Atmospheric gas-phase reaction rate of organic compounds with hydroxyl radicals and ozoneChemosphere, 1993
- Generic models for evaluating the regional fate of chemicalsChemosphere, 1992
- On ranking chemicals for environmental hazardEnvironmental Science & Technology, 1986
- Kinetics and mechanisms of the gas-phase reactions of ozone with organic compounds under atmospheric conditionsChemical Reviews, 1984