Development and Beta Testing of the Toxmatch Similarity Tool
Toxmatch was developed as a result of a proposal approved within the JRC Innovation Project Competition in 2005. The aim of the project proposal was to develop the prototype of a software tool for supporting the risk assessment of chemical substances. Such a tool will be useful for scientific researchers, for end-users in industry, for regulatory authorities, and in the future EU Chemicals Agency.
Toxmatch (Ideaconsult Ltd.) is a flexible user-friendly, computer-based open source application specifically commissioned by ECB which is accessible via internet. It encodes and applies a range of different structural and descriptor based chemical similarity indices. The novelty of this software lies in its ability to calculate similarity measures that are tailored for specific activities/toxicities. Thus, relevant chemical representations can be selected for a given activity and the chemicals of interest can hence be classified into toxicity classes.
The present document summarises the beta testing of Toxmatch, reporting general comments and suggestions for further improvement.
GALLEGOS SALINER Ana;
WORTH Andrew;
2007-11-06
OPOCE
JRC37506
1018-5593,
EUR 22854 EN,
https://publications.jrc.ec.europa.eu/repository/handle/JRC37506,
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