In the regulatory assessment of chemicals (e.g. under REACH), Quantitative Structure Activity Models (QSAR) are playing an increasingly important role in predicting properties for hazard and risk assessment. This implies both a need to be able to identify relevant QSARs and to use them to derive estimates and/or have access to their precalculated estimates. To help meet these needs, the JRC QSAR Model Database is established and freely accessible through http://qsardb.jrc.ec.europa.eu/qmrf

The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including the results of any validation studies. The information is structured according to the OECD validation principles.

Download the QMRF Editor in order to describe your models in QMRF format and send the descriptions to JRC-COMPUTOX@ec.europa.eu to have them included in the database.

More at http://qmrf.sourceforge.net/

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License

GNU Library or Lesser General Public License version 3.0 (LGPLv3)

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Additional Project Details

Intended Audience

End Users/Desktop, Healthcare Industry, Information Technology, Science/Research

User Interface

Web-based

Programming Language

Java

Database Environment

Sybase

Related Categories

Java Molecular Science Software, Java Chemistry Software, Java Knowledge Management Software

Registered

2012-02-21