November 27, 2023 by Modest Korff

Let's introduce Alipheron!

Welcome to Alipheron AG, where we are dedicated to advancing open source projects in the field of drug discovery. At Alipheron we are proud to support and promote open source tools for state-of-the-art data analysis and visualisation. The company has been founded

At Alipheron, we proudly endorse and support open-source tools designed for cutting-edge data analysis and visualization.

Among these tools, DataWarrior stands out as one of the most widely used platforms in the field of life sciences. With built-in chemical intelligence, DataWarrior empowers users to analyze vast datasets of molecules simultaneously. This versatile tool goes beyond the basics, offering features such as the calculation of chemical properties, reliable toxicity predictions, library filtering, and enumeration. DataWarrior’s robust capabilities extend to its proprietary forcefield, enabling the creation of meaningful 3D conformations—a crucial aspect of molecular analysis. Integrating DataWarrior into your enterprise software landscape is seamless, thanks to its fully Java-based architecture compatible with all major operating systems. Whether used as a standalone system or integrated into enterprise data processing pipelines, Alipheron offers custom database plugins to facilitate integration with a range of SQL databases, including cloud-based serverless databases like Athena. Additionally, inquire about our support for NoSQL databases.

In tandem with our commitment to open-source excellence, Alipheron proudly supports OpenChemLib, a potent code repository in the life sciences domain. Leveraging this foundation, Alipheron introduces powerful tools for virtual screening and hyperspace search. Witness the capabilities of AliHype, our hyperspace search engine designed to explore substructures within combinatorial libraries housing up to 100 billion compounds.

Setting us apart is GigaPharmVS, an absolute innovation for searching combinatorial spaces. This tool utilizes two synergistic 3D descriptors in its virtual screening process. The Flexophore, a multi-conformer 3D pharmacophore descriptor, conducts the initial screening, followed by refinement using the PheSA (Pharmacophore Shape Alignment) descriptor. This unique combination not only delivers enrichments comparable to chemical descriptors but also introduces the advantage of scaffold hopping—an unparalleled feat in the world of drug discovery.

Embark on a journey of innovation with Alipheron, where scientific rigor meets open-source ingenuity, shaping the future of drug discovery.