Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

Jeremy G. Frey, Colin L. Bird
2013 Wiley Interdisciplinary Reviews. Computational Molecular Science  
Cheminformatics is evolving from being a field of study associated primarily with drug discovery into a discipline that embraces the distribution, management, access, and sharing of chemical data. The relationship with the related subject of bioinformatics is becoming stronger and better defined, owing to the influence of Semantic Web technologies, which enable researchers to integrate heterogeneous sources of chemical, biochemical, biological, and medical information. These developments depend
more » ... on a range of factors: the principles of chemical identifiers and their role in relationships between chemical and biological entities; the importance of preserving provenance and properly curated metadata; and an understanding of the contribution that the Semantic Web can make at all stages of the research lifecycle. The movements toward open access, open source, and open collaboration all contribute to progress toward the goals of integration.
doi:10.1002/wcms.1127 pmid:24432050 pmcid:PMC3884755 fatcat:vpqawnligbbyrgjepzznugq3vi