Monday, April 6, 2020

CHEMICAL GRAPH THEORY

I write on behalf of "chemical graph theory", as a research and teaching tool etc., to request that RH and Jon Clardy advocate for it and recommend to the American Chemical Society that they (the ACS) formally recognize "chemical graph theory", as a sub-Division of the Division of Theoretical & Computational Chemistry, within the ACS. Chemical Graph Theory is now increasingly used in biological chemistry applications, including in the design of medicines, to great effect I believe. Milan Randic and Doug Klein and Ivan Gutman etc. have devoted their careers to inventing and developing chemical graph theory, for example, and they should be recognized for this competent work by a formal ACS recognition and designation as a Division or sub-Division of the ACS. Chemical Graph Theory can be looked upon as yet another form of iconographic reasoning...iconography has a long history in Chemistry from the time of (1) Kekule to (2) the Lewis dot formulas invented by G.N. Lewis on to (3) RH's use of iconographic orbitals employed to great effect to reason about chemical reactions. I believe that molecules may eventually be profitably  "mapped", by methods of chemical graph theory, using formulas developed from the mathematician Ludwig Schlaefli from the 19th century. Such mapping of molecules is analogous to the iconography of Mendeleev's mapping of atoms and atomic structure in his famous "Periodic Table" construction.

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