Subject: RE: XML and combinatorial chemistry

From: Keith Taylor <[email-masked]>
Date: Wed, 28 Aug 2002 12:10:01 -0700

MDL is developing an XML replacement for the SDfile and RDfile.  It will
accommodate all of MDL's structure representations, including generic
(Markush) structures, but it is not restricted to MDL structure formats.  If
you require more information please contact me directly at [email-masked].

-----Original Message-----
From: Stew Rubenstein [mailto:[email-masked]] 
Sent: Wednesday, August 28, 2002 7:18 AM
To: [email-masked]; [email-masked]; [email-masked]
Subject: CCL:XML and combinatorial chemistry

ChemDraw, ChemOffice, and other CambridgeSoft tools support XML
representations and combinatorial chemistry.  This also includes our library
enumerator, plate inventory, BioAssay HTS, E-Notebook, and other
applications.  Please contact [email-masked] to talk about this in
more detail.

-Stew Rubenstein
President and CTO
CambridgeSoft Corp.

> -----Original Message-----
> From: Shobe, Dave [mailto:[email-masked]]
> Sent: Wednesday, August 28, 2002 9:36 AM
> To: [email-masked]
> Subject: FW: XML and combinatorial chemistry
> 
> 
> Maybe someone in this community can answer this.  Please reply to Eric 
> Martin directly as he might not read CHMINF-L regularly.
> 
> --David Shobe
> Süd-Chemie Inc.
> phone (502) 634-7409
> fax     (502) 634-7724
> email  [email-masked]
> 
> Don't bother flaming me: I'm behind a firewall.
> 
> 
> 
> -----Original Message-----
> From: Martin, Eric [mailto:[email-masked]]
> Sent: Tuesday, August 27, 2002 7:51 PM
> To: [email-masked]
> Subject: CCL:XML and combinatorial chemistry
> 
> 
> Dear CCL,
> 
> Does CML or any other chemical XML application support combinatorial 
> chemistry? Specifically, I have in mind Markush or generic structures 
> with lists of R groups. Is specific support for Markush structures
> necessary or
> useful, or is there a way to do it with existing CML 
> elements? The CML FAQ
> (http://www.xml-cml.org/faq/index.html) notes that "Heteromers" e.g.
> modified proteins, are difficult to represent, which suggests 
> a Markush may
> be as well. Thanks in advance.
> 
> Regards, Eric
> ___________________
> 
> Eric Martin
> Chiron Corp, LSC 4.250
> 4560 Horton St.
> Emeryville, CA 94608
> (510)923-3306
> FAX 923-2010
> 
> 
> 
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> 

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