Version 2.0 
Expert System for Named Reaction Identification and Classification
NextMove Software's <NameRxn software, part of the HazELNut suite of tools, allows the recognition and categorization of reactions from their connection tables. Using a large rule-base of known reaction mechanisms/transformations, NameRXN is able to categorize reactions (such as those in pharmaceutical ELNs or extracted from the literature) to a NameRxn code, such as "3.1.1 Bromo Suzuki coupling" and an RXNO ontology identifier, such as "RXNO:0000140". RXNO is an ontology of named reactions maintained by the Royal Society of Chemistry. The three-level NameRxn code is based upon the hierarchy proposed by Carey, Laffan, Thomson and Williams 2006, and used again by Roughley and Jordan 2001. For example, "3.5.3 Negishi coupling" is an member of the class "3.5 Palladium-catalyzed C-C bond formation", which is a member of the super-class "3 Carbon-carbon bond formation".
- A presentation mentioning NameRXN presented at the American Chemical Society (ACS) National Meeting in Boston, August 2015
1. Schneider, N.; Lowe, D. M.; Sayle, R. A.; Landrum, G.A. Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity. Journal of Chemical Information and Modeling. 2015, 55(1), 39-53.