The Collaborative Drug Discovery CDD Vault™ for private Fragment-Based Drug Discovery (FBDD) data, also contains Fragment-Based Public data (such as the ChemBridge “Astex Rule of 3” compliant Fragment Library). The CDD platform provides a secure, cloud-based database with a web interface that permits users to access and search chemical FBDD collections of structures with SAR data, as well as screening and preclinical study data.<br/><br/>FBDD researchers have a general informatics resource of not only fragments, but also private, published or patented bioactivity data associated with published fragments. This is a unique resource that may be used to answer common questions in the field, such as why certain fragments bind better than others, chemical property trends, 2D vs 3D fragment properties, and other useful similar insights that can only be addressed by combining novel analyses with a critical mass of data. Over 100 Public resources in CDD Vault complement researchers’ private, secure mining of IP-sensitive data. Publications, patents, or data provided for the public good receive free formatting and hosting with attribution.

Collaborative web-based architecture for fragment-based drug discovery data

253rd National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.