ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology

(2015) Pablo Moreno et al.   BMC BIOINFORMATICS

The role of ontologies in biological and biomedical research: a functional perspective

(2015) R. Hoehndorf et al.   BRIEFINGS IN BIOINFORMATICS

KEGG as a reference resource for gene and protein annotation

(2015) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Knowledge-based Generalization of Metabolic Models

(2014) Anna Zhukova et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

T3DB: the toxic exposome database

(2014) David Wishart et al.   NUCLEIC ACIDS RESEARCH

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

Self-organizing ontology of biochemically relevant small molecules

(2012) Leonid L Chepelev et al.   BMC BIOINFORMATICS

ECMDB: The E. coli Metabolome Database

(2012) An Chi Guo et al.   NUCLEIC ACIDS RESEARCH

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013

(2012) Janna Hastings et al.   NUCLEIC ACIDS RESEARCH

HMDB 3.0—The Human Metabolome Database in 2013

(2012) David S. Wishart et al.   NUCLEIC ACIDS RESEARCH

Automated compound classification using a chemical ontology

(2012) Claudia Bobach et al.   Journal of Cheminformatics

Structure-based classification and ontology in chemistry

(2012) Janna Hastings et al.   Journal of Cheminformatics

Chemical Name to Structure: OPSIN, an Open Source Solution

(2011) Daniel M. Lowe et al.   Journal of Chemical Information and Modeling

YMDB: the Yeast Metabolome Database

(2011) T. Jewison et al.   NUCLEIC ACIDS RESEARCH

The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases

(2011) R. Caspi et al.   NUCLEIC ACIDS RESEARCH

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

Update of the LIPID MAPS comprehensive classification system for lipids

(2008) Eoin Fahy et al.   JOURNAL OF LIPID RESEARCH