PubChemRDF: towards the semantic annotation of PubChem compound and substance databases

2015139 citationsJournal Articlegold Open Access

Authors

Gang Fu · National Center for Biotechnology Information

Colin Batchelor · Royal Society of Chemistry

Michel Dumontier · Stanford University

Janna Hastings · European Bioinformatics Institute

Egon Willighagen · Maastricht University

Evan Bolton · National Center for Biotechnology Information

Abstract

With the goal of semantically describing information available in the PubChem archive, pre-existing ontological frameworks were used, rather than creating new ones. Semantic relationships between compounds and substances, chemical descriptors associated with compounds and substances, interrelationships between chemicals, as well as provenance and attribute metadata of substances are described. Graphical abstract:Schematic representation of the semantic links for PubChem compounds and substances.

Topics & Keywords

Biomedical Text Mining and Ontologies Semantic Web and Ontologies Scientific Computing and Data Management

UN Sustainable Development Goals

Industry, innovation and infrastructure

Publication Details

Published in: Journal of Cheminformatics

Volume 7, Issue 1, pp. 34-34

DOI: 10.1186/s13321-015-0084-4

Field-Weighted Citation Impact: 5.27