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  1. Feb 2017
    1. Oneofthemostimportantapplicationsofgraphtheorytochemoinfor-maticsisthatofgraph-matchingproblems.Itisoftendesirableinchemoin-formaticstodeterminedifferingtypesofstructuralsimilaritybetweentwomolecules,oralargersetofmolecules.

      I have been looking into chematics, which looks to be graph theory (network) applied to goal of automating chemical synthesis. How ready for primetime is this technology? Do we envision its likely to be militarized/weaponized or remain in the corporate domain? What are thoughts on how these developments will impact chemists in the near term (5 to 10 years). Interesting article from last year on the topic: