RE: CCL:XDfile format Reviews



MDL is not working on converting the structure data into XML format.  Much
 work has been done by the CML group and we see no need to repeat their work.
 Our focus in on high volume structural data processing and compact
 representations are required to give the best performance.  The XDfile can
 accommodate any structural data format and we believe that a CML
 representation can be used in the file.
 Keith T Taylor
 MDL Information Systems Inc.
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 -----Original Message-----
 From: E.L. Willighagen [mailto:egonw_at_sci.kun.nl]
 Sent: Wednesday, October 22, 2003 12:36 AM
 To: Keith Taylor
 Cc: chemistry_at_ccl.net; CHMINF-L_at_LISTSERV.INDIANA.EDU
 Subject: Re: CCL:XDfile format Reviews
 On Tuesday 21 October 2003 23:33, Keith Taylor wrote:
 > MDL has developed a data interchange format for use in our new
 > generation of chemical information systems.  The new format, the
 > XDfile, is based on XML. In anticipation of its wider use for chemical
 > data interchange, we have published the format in an update to the
 > MDL(r) CTfile Format document.
 >
 > CTfile.pdf (version October 2003) may be downloaded from our web site.
 Good to see that you are picking up XML. Unfortunately, it seems that only
 the metadate is being marked up, and not the chemistry itself. Is MDL
 working on converting the MDL mol format to XML too?
 kind regards,
 Egon
 --
 egonw_at_sci.kun.nl
 PhD on Molecular Representation in Chemometrics
 Nijmegen University
 http://www.cac.sci.kun.nl/people/egonw/
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