Prioritizing PBT Substances

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Abstract

The interplay between partial order ranking and Quantitative Structure Activity Relationships (QSARs) constitute a strong decision support tool. By means of partial order ranking it is possible to prioritize and select chemicals for decision-making among a group of substances based on simultaneous evaluation of data related to different endpoints. In the absence of experimental data, QSARs are used to provide estimates. In the present chapter, the identification of chemicals with Persistence and Bioconcentration (PB) potential is used to illustrate the interplay between partial order ranking and QSARs. The endpoints biodegradation and bioconcentration were obtained using the BioWin and BCFWin modules from http://www.epa.gov/oppt/exposure/docs/episuitedl.htm. Partial order theory was used to rank chemicals for PB potential based on QSAR estimates. The proposed approach is suggested as a decision support tool to facilitate pollution prevention activities by regulated and regulatory communities.