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MathGroup Archive 2001

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Symbolic Chemical Synthesis?

  • To: mathgroup at
  • Subject: [mg30224] Symbolic Chemical Synthesis?
  • From: vjp2 at
  • Date: Fri, 3 Aug 2001 00:55:56 -0400 (EDT)
  • Sender: owner-wri-mathgroup at

Has anyone considered using Mathematica to solve chemical reactions synthesis?

I was thinking if the basic Organic Chemistry reactions could be stored in
symbolic form, then you tell some algorithm: I am starting with this reagent
and want to make this product - what are the steps, please!

Mathematica seems the perfect engine for a "Chemica" or "Synthetica"
package, no?

				- = -
    Vasos-Peter John Panagiotopoulos II, Columbia'81+, Bio$trategist
	      BachMozart ReaganQuayle EvrytanoKastorian
vjp2 at {MCIMail.Com|CSI.Com|Panix.Com|BioStrategist.Com} VP57 at Columbia.Edu
  ---{Nothing herein constitutes advice.  Everything fully disclaimed.}---
 --{vjp2 was formerly on dorsai (1995-2000), delphi (1994) and bix (1989)}--
        << Cigar smoke belongs in the vegetable food group >>
          << Fooey on GUI, {MS,X} Windows are for Bimbos >>

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