KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics

Supervised de novo reconstruction of metabolic pathways from metabolome-scale compound sets

(2013) M. Kotera et al.   BIOINFORMATICS

KEGG OC: a large-scale automatic construction of taxonomy-based ortholog clusters

(2012) Akihiro Nakaya et al.   NUCLEIC ACIDS RESEARCH

The University of Minnesota Pathway Prediction System: multi-level prediction and visualization

(2011) J. Gao et al.   NUCLEIC ACIDS RESEARCH

PathPred: an enzyme-catalyzed metabolic pathway prediction server

(2010) Y. Moriya et al.   NUCLEIC ACIDS RESEARCH

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

KEGG for representation and analysis of molecular networks involving diseases and drugs

(2009) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

PubChem: a public information system for analyzing bioactivities of small molecules

(2009) Y. Wang et al.   NUCLEIC ACIDS RESEARCH

Eliciting Possible Reaction Equations and Metabolic Pathways Involving Orphan Metabolites

(2008) Masaaki Kotera et al.   Journal of Chemical Information and Modeling

Functional Group and Substructure Searching as a Tool in Metabolomics

(2008) Masaaki Kotera et al.   PLoS One