Re: ORGLIST: stock of chemicals

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From: jsb2$##$camsoft.com
Date: Sat May 16 1998 - 13:13:06 EDT


>In the near future I'm in the necessity to set up a stock of fine
>chemicals. I would like to have a program which allows me to find
>rapidly the location of products searching them through name, fragments
>of name (let say.. all products containing "acid" or "amin" in their
>name, etc. ), formula or, even better, molecular formula (substructure).
>Do you have suggestions ?

With the exception of substructure searching, *any* database, properly
configured, should suit your needs. Name searching is strictly a
lexicographical exercise, even if the names happen to describe chemicals.

For substructure searching, your choices are more limited. Unsurprisingly,
I am partial to CS ChemFinder (you can see a web-enabled version in action
at http://chemfinder.camsoft.com). Other database products that offer
substructure searching include databases by Daylight (http://www.daylight.com),
MDL (http://www.mdli.com), and Oxford Molecular (http://www.oxmol.com).
Prices vary substantially, from less than $1,000 to over $100,000.

Jonathan Brecher
CambridgeSoft Corporation
jsb2$##$camsoft.com
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