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
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.
Besides other activities, like the second QsarDB workshop, 2016 was an interesting year when, at the beginning of the year, in February, collaboration with Taylor & Francis reached to the point where QSAR models published in their journal articles can be automatically linked with the QsarDB repository.
In addition to active development work, digitalization of QSAR models and many presentations, a research article was published that describes the QsarDB data repository and its design principles as a whole.