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]
^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.
^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 (1): 39–53. doi:10.1021/ci5006614. PMID 25541888.
^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 (12): 2337–2347. doi:10.1039/B602413K. PMID 16763676.
^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 (10): 3451–79. doi:10.1021/jm200187y. PMID 21504168.
The RXNOOntology is a formal ontology of chemical named reactions. It was originally developed at the Royal Society of Chemistry (RSC) and is associated...
This is a list of ontologies that are part of the OBO Foundry as of January 2020.[update] Hogan WR, Wagner MM, Brochhausen M, Levander J, Brown ST, Millett...
Named after Traugott Sandmeyer Reaction type Substitution reaction Identifiers Organic Chemistry Portal sandmeyer-reaction RSC ontology ID RXNO:0000021...
reaction Named after Oyo Mitsunobu Reaction type Coupling reaction Identifiers Organic Chemistry Portal mitsunobu-reaction RSC ontology ID RXNO:0000034...
reaction Named after William Henry Perkin Reaction type Condensation reaction Reaction Identifiers RSC ontology ID RXNO:0000003 Y Y(what is this?) (verify)...
after Hermann Emil Fischer Reaction type Ring forming reaction Identifiers Organic Chemistry Portal fischer-indole-synthesis RSC ontology ID RXNO:0000064...
Named after Emil Knoevenagel Reaction type Coupling reaction Identifiers Organic Chemistry Portal knoevenagel-condensation RSC ontology ID RXNO:0000044...
after Ernst Otto Beckmann Reaction type Rearrangement reaction Identifiers Organic Chemistry Portal beckmann-rearrangement RSC ontology ID RXNO:0000026...
Suzuki reaction Named after Akira Suzuki Reaction type Coupling reaction Identifiers Organic Chemistry Portal suzuki-coupling RSC ontology ID RXNO:0000140...
reaction Named after Adolf Lieben Reaction type Substitution reaction Identifiers Organic Chemistry Portal haloform-reaction RSC ontology ID RXNO:0000689...
after Karl Barry Sharpless Reaction type Ring forming reaction Identifiers Organic Chemistry Portal sharpless-epoxidation RSC ontology ID RXNO:0000141...
after August Wilhelm von Hofmann Reaction type Elimination reaction Identifiers Organic Chemistry Portal hofmann-elimination RSC ontology ID RXNO:0000166...
Heck reaction Named after Richard F. Heck Reaction type Coupling reaction Identifiers Organic Chemistry Portal heck-reaction RSC ontology ID RXNO:0000024...
synthesis Named after Adolph Strecker Reaction type Substitution reaction Identifiers Organic Chemistry Portal strecker-synthesis RSC ontology ID RXNO:0000207...
oxidation Named after Ewart Jones Reaction type Organic redox reaction Identifiers Organic Chemistry Portal jones-oxidation RSC ontology ID RXNO:0000356...
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