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RXNO Ontology

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The RXNO Ontology is a formal ontology of chemical named reactions.[1] [2] It was originally developed at the Royal Society of Chemistry (RSC) and is associated with the Open Biomedical Ontologies Foundry. The RXNO ontology unifies several previous attempts to systematize chemical reactions including the Merck Index and the hierarchy of Carey, Laffan, Thomson and Williams.[3][4]

See also

References

  1. ^ Schneider, Nadine; Lowe, Daniel; Sayle, Roger; Tarselli, Michael; Landrum, Gregory (2016). "Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter". J. Med. Chem. 59 (9): 4385–4402. doi:10.1021/acs.jmedchem.6b00153. PMID 27028220.
  2. ^ Schneider, Nadine; Lowe, Daniel; Sayle, Roger; Landrum, Gregory (Jan 2015). "Development of a Novel Fingerprint for Chemical Reactions and its Application to Large-Scale Reaction Classification and Similarity". Journal of Chemical Information and Modeling. 55: 39–53. doi:10.1021/ci5006614. PMID 25541888.
  3. ^ Carey, JS; Laffan, D; Thomson, C; Williams, MT (May 2006). "Analysis of the reactions used for the preparation of drug candidate molecules". Organic & Biomolecular Chemistry. 4: 2337–2347. doi:10.1039/B602413K. PMID 16763676.
  4. ^ Roughley, Stephen D.; Jordan, Allan M. (May 2011). "The Medicinal Chemist's Toolbox: An analysis of reactions used in the pursuit of drug candidates". Journal of Medicinal Chemistry. 54: 3451–79. doi:10.1021/jm200187y. PMID 21504168.
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