DataWarrior Integration
DataWarrior is one of the most widely used open-source programs in the field of cheminformatics. It combines interactive visualization of alphanumerical data with chemical intelligence. It understands molecules and reactions as natural data types, which can be searches, displayed, and analysed. DataWarrior’s algorithms cover all major aspects of cheminformatics in 2D and 3D. It is fun to use and helps you to quickly understand your data. Intrigued ? You can learn more at or download DataWarrior from [Download DataWarrior] (https://openmolecules.org/datawarrior/download.html).
DataWarrior can query multiple open databases like Google patents, Wikipedia, or ChEMBL, but out of the box, it cannot access your company’s in-house database. Luckily, DataWarrior can be extended easily to bridge this gap. You may unlock the full potential of data science by seamlessly integrating DataWarrior into your IT landscape using custom developed DataWarrior plugins. You may develop your plugins yourself or may get support from us, since we specialize in DataWarrior custom plugin development.
With a user base exceeding 100'000, DataWarrior stands out as a leading data visualization platform in the life sciences domain. DataWarrior combines dynamic graphical views and interactive row filtering with chemical intelligence. Visualizations like scatter plots, box plots, bar charts, and pie charts not only present numerical or categorical data but also reveal trends in your data.
DataWarrior facilitates simultaneous analysis of extensive molecular datasets. Beyond its foundational capabilities, DataWarrior calculates chemical properties, delivering reliable toxicity predictions, and simplifying tasks such as library filtering and enumeration. The platform supports the enumeration of combinatorial libraries and the creation of evolutionary libraries. Compounds can be clustered, diverse subsets can be selected, and calculated compound similarities can be utilized for multidimensional scaling methods like Kohonen nets. Physicochemical properties can be effortlessly calculated, structure-activity relationship tables can be generated, and activity cliffs can be visualized. DataWarrior’s conformation generator and its forcefield enable the creation of meaningful 3D-conformations, protein-ligand docking, shape matching, crucial features in drug discovery.
And finally, DataWarrior can be used in a fully automated fashion, since any of its interactive tasks can be arranged in predefined workflows, aka macros, to repeatedly analyse and visualize new or other data in a consistent predefined way without any user interaction.
Ensuring seamless integration into enterprise software landscapes, DataWarrior boasts a fully Java- based architecture compatible with all major operating systems.
Alipheron offers custom database plugins tailored for integration with SQL databases, including cloud-based serverless databases like Athena. Inquire about our additional support for NoSQL databases.
Our database plugins provides effortless access to all DataWarrior features. Developed according to your specific needs and definitions, the plugin interacts directly with the database via SQL or utilizes an available database interface (API). The Alipheron team possesses extensive experience in accessing various data sources with DataWarrior plugins. Explore the ‘Database’ tab in DataWarrior to witness a spectrum of possibilities.
Among all interactive data analysis tools for life science, DataWarrior boasts the broadest scope of functionality. As an open-source tool, it is available for free. The combination of DataWarrior and your tailored database plugin provides a competitive advantage in both performance and price. We welcome the opportunity to discuss your unique requirements for a DataWarrior plugin, enabling seamless analysis of your data.
