Informatics solutions for drug discovery

Helping to meet the challenges of informatics data management and software integration

Squonk

The Squonk Computational Notebook is one of the core products that we are currently creating. Based on the Squonk Platform that provides the robust and scaleable application architecture, the Computational Notebook provides a novel, easy to use, web based workflow environment in which scientists can design and execute scientific workflows using open source and commercial tools from multiple sources.

OpenRiskNet
RISK ASSESSMENT E-INFRASTRUCTURE

OpenRiskNet graphic.

OpenRiskNet is a Horizon 2020 project funded by the European Union which started in December 2016. It aims to provide e-infrastructure to support chemical risk assessment in areas like predictive toxicology and nanoparticles. Informatics Matters is one of the 11 project partners and is playing a key part in setting up this infrastructure with the Squonk Platform and the Squonk Computational Notebook is being adapted to form a key part of this infrastructure.

Fragment Network

Frag graph.

Based on our work with the XChem project at the Diamond Light Source we have an implementation of the Astex Fragment Network available for customers. Primarily designed for identifying follow up compounds in fragment screening, the fragment network provides an alternative approach to identifying similar compounds without the drawbacks of traditional fingerprint based similarity approaches. We can provide access to searchable fragment network databases either as a hosted service, or deployed to your own infrastructure. The easiest way to access the fragment network is with our Fragnet Search application.