PocketMapper is our most powerful DEL follow-up system. It is a machine learning pipeline that rigorously classifies structures as signal or noise, and removes all structures identified as noise. Information from the surviving compounds is then used to create an atomic-resolution map of the binding site or binding sites.
The system is extremely robust, and we are pleased to offer it on a fee-per-success basis: if the de-noised compounds do not converge to form a pocket map, no fee is payable.
PocketMapper greatly de-risks hit identification, accelerates lead optimisation, provides diverse additional paths to effective candidate chemistry, and renders a significant amount of lab work unnecessary.
DeepDELve is a highly-optimised deep learning pipeline for virtual screening. It is used as an extension to PocketMapper, allowing fast access to novel, diverse, lead-like binders that can be delivered within several weeks.
DeepDELve enables expansion out of the DEL space and into the billions of compounds easily accessible through our catalogue partners.
ShapeRetriever is our shape-screening pipeline, specifically optimised to use PocketMapper maps as a query. It screens into billions of our catalogue partners' high quality lead-like compounds to deliver novel chemical matter with reduced synthesis burden.
In addition to large, medium, and small pharmaceutical companies currently undisclosed.
Cambridge Molecular Ltd
The Bradfield Centre
184 Cambridge Science Park
Cambridge CB4 0GA