Linking the Resource Description Framework to cheminformatics and proteochemometrics.

ABSTRACT:

Background

Semantic web technologies are finding their way into the life sciences. Ontologies and semantic markup have already been used for more than a decade in molecular sciences, but have not found widespread use yet. The semantic web technology Resource Description Framework (RDF) and related methods show to be sufficiently versatile to change that situation.

Results

The work presented here focuses on linking RDF approaches to existing molecular chemometrics fields, including cheminformatics, QSAR modeling and proteochemometrics. Applications are presented that link RDF technologies to methods from statistics and cheminformatics, including data aggregation, visualization, chemical identification, and property prediction. They demonstrate how this can be done using vario

SUBMITTER: Willighagen EL 

PROVIDER: S-EPMC3105498 | biostudies-literature | 2011 Mar

REPOSITORIES: biostudies-literature