ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
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Evan Bolton | David S. Wishart | Christoph Steinbeck | Craig Knox | Russell Greiner | Yannick Djoumbou | Roman Eisner | Leonid L. Chepelev | Janna Hastings | Gareth Owen | Eoin Fahy | Shankar Subramanian | Evan E. Bolton | R. Greiner | D. Wishart | C. Steinbeck | Craig Knox | Roman Eisner | Yannick Djoumbou | Janna Hastings | L. Chepelev | Gareth Owen | E. Fahy | Craig K. Knox | S. Subramanian
[1] David S. Wishart,et al. DrugBank 4.0: shedding new light on drug metabolism , 2013, Nucleic Acids Res..
[2] W. H. Powell,et al. Nomenclature of organic chemistry : IUPAC recommendations and preferred names 2013 , 2014 .
[3] Minoru Kanehisa,et al. KEGG as a reference resource for gene and protein annotation , 2015, Nucleic Acids Res..
[4] Midori A. Harris,et al. OBO-Edit - an ontology editor for biologists , 2007, Bioinform..
[5] Joanna Stanley,et al. Imidazo[1,2-a]pyrimidines as Functionally Selective and Orally Bioavailable GABAAα2/α3 Binding Site Agonists for the Treatment of Anxiety Disorders , 2006 .
[6] Thomas R. Gruber,et al. Toward principles for the design of ontologies used for knowledge sharing? , 1995, Int. J. Hum. Comput. Stud..
[7] Ram Krishnamurthy,et al. ECMDB: The E. coli Metabolome Database , 2012, Nucleic Acids Res..
[8] David S. Wishart,et al. T3DB: the toxic exposome database , 2014, Nucleic Acids Res..
[9] James Cummings,et al. THE EIGHTFOLD WAY , 2018, The Journal of Symbolic Logic.
[10] Christoph Steinbeck,et al. Self-organizing ontology of biochemically relevant small molecules , 2011, BMC Bioinformatics.
[11] Yakov Shafranovich,et al. Common Format and MIME Type for Comma-Separated Values (CSV) Files , 2005, RFC.
[12] Rainer Schrader,et al. Small Molecule Subgraph Detector (SMSD) toolkit , 2009, J. Cheminformatics.
[13] John H. Fletcher,et al. The Nomenclature of Organic Chemistry , 1967 .
[14] Peter Murray-Rust,et al. Chemical Name to Structure: OPSIN, an Open Source Solution , 2011, J. Chem. Inf. Model..
[15] A. J. Cain,et al. LOGIC AND MEMORY IN LINNAEUS'S SYSTEM OF TAXONOMY. , 1958 .
[16] Robert Stevens,et al. Structure-based classification and ontology in chemistry , 2012, Journal of Cheminformatics.
[17] Christoph Steinbeck,et al. The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013 , 2012, Nucleic Acids Res..
[18] V. Malyuto,et al. The technique of automatic quantitative stellar spectral classification using stepwise linear regression , 1989 .
[19] Gang Fu,et al. PubChem Substance and Compound databases , 2015, Nucleic Acids Res..
[20] Christoph Steinbeck,et al. BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology , 2015, BMC Bioinformatics.
[21] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[22] M. Ashburner,et al. The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration , 2007, Nature Biotechnology.
[23] Peter Ertl,et al. The scaffold tree: an efficient navigation in the scaffold universe. , 2011, Methods in molecular biology.
[24] Ram Krishnamurthy,et al. YMDB: the Yeast Metabolome Database , 2011, Nucleic Acids Res..
[25] M. Ashburner,et al. Gene Ontology: tool for the unification of biology , 2000, Nature Genetics.
[26] W. Bremser. Hose — a novel substructure code , 1978 .
[27] Arthur Dalby,et al. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited , 1992, J. Chem. Inf. Comput. Sci..
[28] Yuval Ne'eman,et al. THE EIGHTFOLD WAY , 1965 .
[29] Carole D. Hafner,et al. The State of the Art in Ontology Design: A Survey and Comparative Review , 1997, AI Mag..
[30] Michel Dumontier,et al. CO: A chemical ontology for identification of functional groups and semantic comparison of small molecules , 2005, FEBS letters.
[31] A. Fliri,et al. Biological spectra analysis: Linking biological activity profiles to molecular structure. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[32] Paul N. Schofield,et al. The role of ontologies in biological and biomedical research: a functional perspective , 2015, Briefings Bioinform..
[33] Harinder P. Singh,et al. Stellar spectral classification using principal component analysis and artificial neural networks , 1998 .
[34] F B ROGERS,et al. Medical Subject Headings , 1948, Nature.
[35] Timo Böhme,et al. Automated compound classification using a chemical ontology , 2012, Journal of Cheminformatics.
[36] Natalya F. Noy,et al. The state of art in ontology design , 1997 .
[37] David James Sherman,et al. Knowledge-based Generalization of Metabolic Models , 2014, J. Comput. Biol..
[38] David S. Wishart,et al. HMDB 3.0—The Human Metabolome Database in 2013 , 2012, Nucleic Acids Res..