ChEMBL is a large, open-access drug discovery database that aims to capture Medicinal Chemistry data and knowledge across the pharmaceutical research and development process. Information about small molecules and their biological activity is extracted from the full text articles of several core Medicinal Chemistry journals and integrated with data on approved drugs and clinical development candidates, such as mechanism of action and therapeutic indications. SureChEMBL is a publicly available large-scale resource containing compounds extracted from the full text, images and attachments of patent documents. The data are extracted from the patent literature according to an automated text and image-mining pipeline on a daily basis. SureChEMBL provides access to a previously unavailable, open and timely set of annotated compound-patent associations, complemented with sophisticated combined structure and keyword-based search capabilities against the compound repository and patent document corpus. UniChem is a low-maintenance, fast and freely available compound identifier mapping service. It's purpose is to optimize the efficiency with which structure-based hyperlinks may be built and maintained between chemistry-based resources. Primarily, this service has been designed to maintain cross references between EBI chemistry resources. These include primary chemistry resources, i.e., ChEMBL and ChEBI, and other resources where the main focus is not small molecules, but which may nevertheless contain some small molecule information e.g.: Gene Expression Atlas, PDBe. Currently we have cross-references to more than 158 million compounds in 39 different databases such as PubChem and ZINC.

ChEMBL, SureChEMBL and UniChem: Web-based chemistry databases for drug discovery and chemical research

2019 Fall National Meeting

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