POST

We’ve been working with the fragment network as part of our work with the fragment screening program at the Diamond Light Source for a couple of years now. The fragment network was conceived by Astex and provides a chemically intuitive way to identify similar compounds without the limitations of traditional fingerprint based similarity searching.

As part of this work we have been creating a web tool for searching and analysing molecules from the fragment network as well as collecting lists of compounds to purchase from the various vendors. This tool will be launched in the next few weeks and will provide a unique way to find compounds of interest based on connections in the fragment network.

As a first exercise in showing this we have organised a joint webinar with ChemSpace on Monday 23 September at 3pm BST which will demonstrate how the tool can be used to find fragments or building blocks that can be purchased.

Sign up for the webinar now!

latest posts
by year
by category
Blog
Containers
Software design
Automation
IaC
Docking
Fragment network
Kubernetes
Web
Ansible
Python
Squonk