Jeffrey Atkinson (
Wed, 29 May 1996 10:01:17 +0000

Kurt Giles wrote:

>Would it be possible to have the SMILES notation for each entry that can have
>one and make this 'clickable' to give a 2D drawn structure, or should the drawn
>structure be included anyway?

I haven't said much yet through all these discussions about
terminology and syntax and the "codes" for making the glossary itself, but
on this point my mind is immediately clear. If, as in the amino acid case,
the glossary will provide a short definition, then it "must" have a link to
a chemical structure of some format, whether it be SMILES or a 2D picture
as a GIF file. For someone interested in the chemical biology of proteins
at least, a picture should be readily interpretable and worth many hundreds
of words of description.
This is one of the most powerful parts of the glossary with respect to
molecules, and many of the items already include references to KLOTHO and
such. Nothing disturbs me more than reading a paper that includes multiple
referencs to some biologically active toxin, or inhibitor, or drug, wiht no
mention of its structure or properties (acidic, basic, amphoteric,
hydropobic, heterocyclic, etc). The least we can do is include this
information in all molecules deposited in the gloassary.


Dr. Jeffrey Atkinson
Assistant Professor of Chemistry
Department of Chemistry
Brock University
St. Catharines, Ontario
Canada L2S 3A1

Phone: (905) 688-5550 ext 3967
Fax: (905) 682-9020