Great idea Chris! One of my favourite paper on Chemical reaction classification based on the Bond Electron matrix is
“An Algebraic Model of Constitutional Chemistry as a Basis for Chemical Computer Programs” 1973 by Prof. Dr. James Dugundji and Prof. Dr. Ivar Ugi -Asad Sent from my iPhone Apologies for any typos > On 3 Sep 2019, at 16:48, Craig James <cja...@emolecules.com> wrote: > > > >> On Mon, Sep 2, 2019 at 6:01 AM Christoph Steinbeck >> <christoph.steinb...@uni-jena.de> wrote: >> >> for teaching and documentation purposes, I would like to compile, with your >> help, a list of seminal papers in cheminformatics. >> It could be hosted on BlueOblisk.org and be a guidance for teaching and >> learning. > > A good resource for this could be John Bradshaw and David Livingston's > chapter, "A History of the Development of Data Mining in Pharmaceutical > Research". John was an avid science historian and gave a really fun talk at > Daylight one year. I haven't read the Wiley book, but I imagine it has a lot > of good references and is a thorough history. > > Craig > > -- > --------------------------------- > Craig A. James > Chief Technology Officer > eMolecules, Inc. > 3430 Carmel Mountain Road, Suite 250 > San Diego, CA 92121 > --------------------------------- > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user
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