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MathGroup Archive 2001

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Chem Synthesis Planning

  • To: mathgroup at smc.vnet.net
  • Subject: [mg31877] Chem Synthesis Planning
  • From: vjp2 at biostrategist.com
  • Date: Sun, 9 Dec 2001 06:06:59 -0500 (EST)
  • Sender: owner-wri-mathgroup at wolfram.com

       I wonder if there isn't some toolbox in Mathematica which allows for
chemical synthesis. Mathematica is great because I don't have to spend my
time looking through tables to solve a complicated problem - in the same way
in chemistry (esp orgo) you want to make a certain compound starting from
other compounds. The procedure is very similar to and lends itself to
symbolic manipulation. I found these two URLs but nothing in Mathematica:

http://www.daylight.com/meetings/mug97/Rohde
http://www.organicworldwide.net/syntplan.html



				- = -
    Vasos-Peter John Panagiotopoulos II, Columbia'81+, Bio$trategist
	      BachMozart ReaganQuayle EvrytanoKastorian
       http://ourworld.compuserve.com/homepages/vjp2/vasos.htm
  ---{Nothing herein constitutes advice.  Everything fully disclaimed.}---


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