DATASET

JRC QSAR Model Database

Collection: EURL-ECVAM : European Union Reference Laboratory for Alternatives to Animal Testing 

Description

The JRC QSAR Model Database is a historical archive providing information on the validity of Quantitative Structure-Activity Relationship (QSAR) models that were submitted to JRC's EU Reference Laboratory for Alternatives to Animal Testing (EURL ECVAM). The database can be used to identify valid QSARs, e.g. for regulatory purposes. The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including information on model validity. The information is structured according to the OECD principles for the validation of QSAR models.

Contact

Email
JRC-COMPUTOX (at) ec.europa.eu

Contributors

How to cite

European Commission, Joint Research Centre (JRC) (2020): JRC QSAR Model Database. European Commission, Joint Research Centre (JRC) [Dataset] PID: http://data.europa.eu/89h/e4ef8d13-d743-4524-a6eb-80e18b58cba4

Keywords

QMRF QSAR

Data access

JRC QSAR Database (downloadable version) ZIP
Download 
  • This downloadable version of the JRC QSAR Database information is a zip file that should be extracted locally on the user's PC.

    It is composed of an Excel file allowing the search different search criteria, and of a three folders containing all related documents.

    Users can browse the Database for published QMRFs (QSAR Model Reporting Formats) and perform document or substance searching. QMRF documents can be searched by applying a subset of the following criteria: Title / Endpoint / QMRF Number / Last update

    QMRF documents can be viewed in: PDF (Title link) or XML format (XML link)

    Additional information can also be accessed when available: Chemical structures (training and test sets, in various formats: sdf files, images, PDF) / DOI link to the QSAR DataBank repository at the University of Tartu, Estonia where the QSARs can be run online (http://qsardb.org/about/qsardb)

JRC QSAR Database (online version) HTML
URL 
  • Users can browse the Database for published QMRFs (QSAR Model Reporting Formats) and perform document or substance searching. QMRF documents can be searched by applying a subset of the following criteria: Title / Endpoint / QMRF Number / Last update

    QMRF documents can be viewed in: PDF (Title link) or XML format (XML link)

    Additional information can also be accessed when available: Chemical structures (training and test sets, in various formats: sdf files, images, PDF) / DOI link to the QSAR DataBank repository at the University of Tartu, Estonia where the QSARs can be run online (http://qsardb.org/about/qsardb)

Geographic areas

World

Temporal coverage

From date To date
2013 2019

Additional information

Published by
European Commission, Joint Research Centre
Created date
2020-02-11
Modified date
2020-02-17
Issued date
2020
Landing page
https://ec.europa.eu/jrc/en/scientific-tool/jrc-qsar-model-database 
Language(s)
English
Data theme(s)
Environment, Health, Science and technology
Update frequency
irregular
Identifier
http://data.europa.eu/89h/e4ef8d13-d743-4524-a6eb-80e18b58cba4
Popularity