Chemical Entity Semantic Specification
From the website:
Chemical Entity Semantic Specification (CHESS) framework strives to provide a means of representing chemical data with the goal of facile chemical information federation and addressing increasingly rich and complex queries for biological, pharmaceutical, and synthetic chemistry applications. The principal emphasis of CHESS is data representation to assist in metabolic fate determination, synthetic pathway construction, and automatic chemical entity classification. With explicit semantic specification of reactions for example, CHESS allows the tracing of the mechanisms of chemical transformations on the level of individual atoms, bonds, functional groups, or molecules, as well as the individual “histories” of elements of chemical entities in a pathway. Further, the CHESS framework draws on CHEMINF and SIO ontologies to provide methods for specifying uncertainty, conformer-specific information, units, and circumstances for physical measurements at variable levels of granularity, permitting rich, cross-domain queries over this data. In addition to this, CHESS provides a set of specifications to address data federation through the adoption of unique, canonical identifiers for many classes of chemical entities.
Interesting project but appears to lack uptake.
As of 13 August 2011, I get nine (9) “hits” from a popular search engine on the name as a string.
Useful as a resource for existing ontologies and identification schemes.
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