Welcome to QSAR DataBase

QsarDB is a smart repository for (Q)SAR/QSPR models and datasets, ready for discovery, exploring, citing and predicting.

Read more about QsarDB

Transparent QSAR data

Create and upload QDB archive

The QsarDB repository requires your model and associated data to be organized. A small effort will make your research transparent and usable.

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Cite QSAR data

Link repository with your publication

Include a QsarDB archive DOI in your publication. Taylor & Francis journals now automatically link to a QsarDB archive when the corresponding article DOI is included with the archive.

Read more Example 1 Example 2

Explore chemicals

Search from 40000 structures in QDB archives

Exact chemical search, similarity and substructure searches find QDB archives containing the query compound.

Explore models

Browse among more than 500 interactive models

Browse the list of endpoints, corresponding QDB archives and among more than 500 models. Visualize models and predict endpoints.

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Recent submissions

Show your study on this list

13 Mar 2020: Bajot, F.; Cronin, M. Polar narcosis QSAR for fathead minnow acute toxicity. Q17-33-0032. Liverpool John Moores University, 2009.
12 Mar 2020: Bajot, F.; Cronin, M. Non polar narcosis QSAR for fathead minnow acute toxicity. Q17-33-0030. Liverpool John Moores University, 2009.
10 Mar 2020: Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005.
06 Mar 2020: Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environ. Toxicol. Chem. 2013, 32, 2217–2225.

Recent blog posts

On our mind

23 Jan 2020 | New communities from France and England: The last quarter of 2019 brought two new communities to the QsarDB, namely, Ineris (France) and Chemoinformatics Research Group from Liverpool John Moores University (England).
09 Dec 2019 | QSAR2020 is approaching fast: 19th International Workshop on (Quantitative) Structure-Activity Relationships in Environmental and Health Sciences will be in Durham, NC, June 8-11, 2020.
18 Oct 2019 | QsarDB archive parser in Python: Lisa Bang has developed a simple QsarDB archive parser for the Python programming language. This parser can be useful to someone interested in reproducing the QSAR provided in the QsarDB archive format.
30 Sep 2019 | QsarDB website got redesign: This summer, QsarDB’s main website underwent a major upgrade. The visual side was redesigned to have a modern look, but it was only a small part of the effort. Most of the work went into improving the documentation and its results are available in the new section, GUIDELINES.