About QsarDB

QsarDB is developing and operates domain-specific digital data exchange standards and tools that enables research groups, project teams and institutions to share and present Quantitative Structure-Activity Relationships (data and models):

  • The QSAR DataBank (QsarDB) repository aims to make the processes and outcomes of in silico modelling work transparent, reproducible and accessible.

  • The models are represented in the QsarDB data format and stored in a content-aware repository.

  • The repository in addition to browsing and downloading models also offers integrated services, such as model analysis and visualization and making predictions.

  • The QsarDB repository unlocks the potential of descriptive and predictive in silico (Q)SAR models by allowing new and different types of collaboration between model developers and model users.

  • QsarDB makes in silico (Q)SAR models citable via unique and persistent identifiers (HDL and DOI)

  • The QsarDB repository automates most of the unexciting work (e.g., collecting, systematizing, and reporting data), thereby reducing the time to decision.

  • The QsarDB repository is designed for models produced with all statistical and mathematical algorithms that qualitatively or quantitatively express the relationship between the chemical structure and the responses of a compound. This information includes chemico-biological activity (QSAR), physicochemical properties (QSPR), toxicity (QSTR), metabolism (QSMR), reactivity (QSRR), retention (QSRR), permeability (QSPR), pharmacokinetics (QSPR), bioavailability (QSBR), binding (QSBR), etc.

  • The QsarDB repository is a practical resource and tool for the QSAR community.