QSARs for Prioritizing PBT Substances to Promote Pollution Prevention

1 April 2003

journal article
review article
Published by Wiley in QSAR & Combinatorial Science

Vol. 22 (1) , 49-57
https://doi.org/10.1002/qsar.200390004

Abstract

The selection of Persistent, Bioaccumulative and Toxic (PBT) substances constitutes an important task in the possible regulation of chemicals. Due to the shortage of experimental data, Quantitative Structure Activity Relationship (QSAR) estimates for these endpoints appear as an attractive alternative. In the present study, biodegradation, bioaccumulation and aquatic toxicity estimates were obtained using the BioWin, BCFWin and ECOSAR modules of the EPI suite. Partial order theory was used to rank QSAR‐based PBT substances. The proposed approach is suggested as a decision support tool to facilitate subsequent pollution prevention activities by regulated and regulatory communities.

Keywords

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