Subject: re: HOSE codes

From: "W. Todd Wipke" <[email-masked]>
Date: Thu, 05 Oct 1995 14:41:29 PDT

>From: "yu" <[email-masked]>
>Date: Wed, 4 Oct 1995 13:09:50 -0700
>Subject: CCL:HOSE codes?
> 
>Hi netters,
> 
>A nomenclature, "Hose codes", confused me when I read a paper, CSEARCH: A
>Computer Program for Identification of Organic Compounds and Fully Automated
>Assignment of Carbon-13 Nuclear Magnetic Resonance Spectra (H. Kalchhauser et
>al., J. Chem. Inf. Comput. Sci., 1985, 25, 103). Could someone give me a clue
>about it?
> 
>Thank yuo!
> 
>Jianguo Yu

HOSE codes are hierarchially Oriented Structure Environment representations
similar in concept to the DARC codes, and a representation Djerassi
used for C-13.  It is centered on a root atom, then the first neighbors
with atom type and bond type, ordered canonically, then the second layer
of atoms away from the central atom with atom type and bond type, again
ordered canonically.  It is an ideal code for C13.  If the environment
matches, you can bet the chemical shift will match very closely.

-Todd Wipke

W. Todd Wipke, Professor                [email-masked]
Molecular Engineering Laboratory        [email-masked]
Department of Chemistry 
University of California                tel 408 459-2397
Santa Cruz, CA  95064                   FAX 408 459-2935
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