From: |
shenkin (- at -) still3.chem.columbia.edu (Peter Shenkin) |
Date: |
Wed, 2 Dec 92 21:53:36 -0500 |
Subject: |
Re: Programs to predict metabolic products |
> From: rsjuds()at()snll-arpagw.llnl.gov (judson richard s)
> Does anyone know of programs that take a molecule and predict the
> the metabolic products, based on a set of rules about bonds that
> are likely to be hydrolyzed, etc?
Such a program is given below:
PROGRAM metbol
CHARACTER *80 input
READ( 5, *, END=900 ) input
900 CONTINUE
WRITE( 6, * ) 'CO2, H20'
END
;-),
-P.
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Peter S. Shenkin, Box 768 Havemeyer Hall, Dept. of Chemistry, Columbia Univ.,
New York, NY 10027; shenkin(-(at)-)still3.chem.columbia.edu; (212) 854-5143
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