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Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance
Author(s) -
Frey Jeremy G.,
Bird Colin L.
Publication year - 2013
Publication title -
wiley interdisciplinary reviews: computational molecular science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.126
H-Index - 81
eISSN - 1759-0884
pISSN - 1759-0876
DOI - 10.1002/wcms.1127
Subject(s) - cheminformatics , metadata , computer science , semantic web , world wide web , identifier , data science , data integration , ontology , biological data , biology , bioinformatics , database , programming language , philosophy , epistemology
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 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. © 2013 John Wiley & Sons, Ltd. This article is categorized under: Computer and Information Science > Chemoinformatics