Read more about QsarDB
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.
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.
Search from 40000 structures in QDB archives
Exact chemical search, similarity and substructure searches find QDB archives containing the query compound.
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.
Show your study on this list
On our mind
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.
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.
In year 2018 the third QsarDB workshop was held. The year culminated with the publication of a scientific article, which documented the "Best Practices for QSAR Model Reporting", which was also a summary of QsarDB team's experience in recent years on how QSAR models are documented in the scientific literature and also made suggestions for improving the current state-of-the-art.
2017 was a year of normal technical development, QSAR models from 14 articles were digitalized and uploaded to the QsarDB repository, also the repository back-end was upgraded, etc.