Get 20M+ Full-Text Papers For Less Than $1.50/day. Start a 14-Day Trial for You or Your Team.

Learn More →

CAESAR models for developmental toxicity

CAESAR models for developmental toxicity Background: The new REACH legislation requires assessment of a large number of chemicals in the European market for several endpoints. Developmental toxicity is one of the most difficult endpoints to assess, on account of the complexity, length and costs of experiments. Following the encouragement of QSAR (in silico) methods provided in the REACH itself, the CAESAR project has developed several models. Results: Two QSAR models for developmental toxicity have been developed, using different statistical/ mathematical methods. Both models performed well. The first makes a classification based on a random forest algorithm, while the second is based on an adaptive fuzzy partition algorithm. The first model has been implemented and inserted into the CAESAR on-line application, which is java-based software that allows everyone to freely use the models. Conclusions: The CAESAR QSAR models have been developed with the aim to minimize false negatives in order to make them more usable for REACH. The CAESAR on-line application ensures that both industry and regulators can easily access and use the developmental toxicity model (as well as the models for the other four endpoints). Background The European legislation REACH requires specific Developmental toxicity is receiving increasing attention assessment of developmental toxicity [3]. As http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemistry Central Journal Springer Journals

CAESAR models for developmental toxicity

Download PDF
11 pages

Loading next page...
 
/lp/springer-journals/caesar-models-for-developmental-toxicity-G6T2zObRUU

References (104)

Publisher
Springer Journals
Copyright
Copyright © 2010 by Cassano et al; licensee BioMed Central Ltd.
Subject
Chemistry; Chemistry/Food Science, general
eISSN
1752-153X
DOI
10.1186/1752-153X-4-S1-S4
pmid
20678183
Publisher site
See Article on Publisher Site

Abstract

Background: The new REACH legislation requires assessment of a large number of chemicals in the European market for several endpoints. Developmental toxicity is one of the most difficult endpoints to assess, on account of the complexity, length and costs of experiments. Following the encouragement of QSAR (in silico) methods provided in the REACH itself, the CAESAR project has developed several models. Results: Two QSAR models for developmental toxicity have been developed, using different statistical/ mathematical methods. Both models performed well. The first makes a classification based on a random forest algorithm, while the second is based on an adaptive fuzzy partition algorithm. The first model has been implemented and inserted into the CAESAR on-line application, which is java-based software that allows everyone to freely use the models. Conclusions: The CAESAR QSAR models have been developed with the aim to minimize false negatives in order to make them more usable for REACH. The CAESAR on-line application ensures that both industry and regulators can easily access and use the developmental toxicity model (as well as the models for the other four endpoints). Background The European legislation REACH requires specific Developmental toxicity is receiving increasing attention assessment of developmental toxicity [3]. As

Journal

Chemistry Central Journal – Springer Journals

Published: Jul 29, 2010

There are no references for this article.