I just added the dataset from the 3D Fragment Library Consortium.

The 3D Fragment Consortium brings together UK-based not-for-profit drug discovery institutes and academic groups, working in partnership to build a collection of chemically diverse molecules with a particular focus on fragments that incorporate 3D structure. The consortium is looking to collaborate with other research groups to expand the collection and make it available for screening against new biological targets to help kick-start hit discovery programmes and provide a foundation for a vibrant pre-competitive drug discovery network across the UK. The 3D Fragment Consortium has identified a foundation library of 170 fragments to commence their screening activities.

I’ve added this fragment library profile to the 22 other collections previously calculated:

Comparison of all collections, and calculated physiochemical profiles.

It is obviously early days yet but it will be interesting to see how this develops.