Community Research and Development Information Service - CORDIS

Abstract

The analyses presented in this report were performed to evaluate the possibility of using QSAR predictions for regulatory purposes. To this end, three literature-based narcosis QSAR models for acute fish toxicity to Pimephales promelas were analyzed with respect to their ability to predict OECD Screening Information Data Set (SIDS) data for 177 High Production Volume (HPV) chemicals.
The first two models are QSARs recommended by the EU Technical Guidance Document on chemical risk assessment for the polar and non-polar narcotic mechanisms of action. The third model was developed by ECB to represent the narcosis mechanism of action, including both non-polar and polar action.
SIDS substances were classified according to expected Mode of Action (MOA) by using three different classification schemes and by applying a consensus scheme for the SIDS MOA.
The first scheme was developed by ECB and classified chemicals into seventeen MOA. The second scheme was provided by an independent expert and included a similar number of mechanisms. The third one was performed according to the rules implemented in ASTER (Assessment Tools for the Evaluation of Risk, U.S. EPA - Duluth MN). A consensus classification based on the majority principle was developed, comprising nine MOA. As a result, 75 chemicals were classified as non-polar narcotics (NPN) and 12 as polar narcotics (PN). Their acute toxicity to fish could be predicted confidently by the NPN and PN models. To predict the toxicities of the remaining 90 chemicals, which were classified as reactive, the use of MOAspecific QSAR models was suggested.

Additional information

Authors: PAVAN M, European Commission, Joint Research Centre, Institute for Health and Consumer Protection, Ispra (IT);WORTH A, European Commission, Joint Research Centre, Institute for Health and Consumer Protection, Ispra (IT);NETZEVA T, European Commission, Joint Research Centre, Institute for Health and Consumer Protection, Ispra (IT)
Bibliographic Reference: EUR 21749 EN (2005), 169 pp. Free of charge
Availability: Available from European Commission, JRC Knowledge Management Unit, Ispra (IT) Tel: +39 033278 9893 Fax: +39 033278 5409 E-mail: jrc-publications-office@ec.europa.eu or Bruxelles (BE) Tel: +32 2 295 76 24 Fax: +32 2 299 63 22
Record Number: 200618494 / Last updated on: 2005-12-15
Category: PUBLICATION
Original language: en
Available languages: en