Thanks for the encouragement and advice re: defining an open SMILES
specification.
I expect traffic regarding SMILES to be moderate to high initially, then die
off rapidly as the standard solidifies. I propose to use this
blueobelisk-discuss mailing list rather than creating a new one that would fade
into oblivion quickly. If the traffic is too high and people complain, then we
can create a separate mailing list.
As to hosting the document: I have to confess -- and I don't want to sound
critical as a newcomer -- that I simply can't figure out where in the Blue
Obelisk web site this document should go, nor can I figure out how to upload a
regular HTML document and its associated image files.
To get the ball rolling, here it is, on an old web site I still have hanging
around (ignore the rest of the site, it's out of date):
http://www.moonviewscientific.com/smiles_spec/smiles_spec.htm
I hope someone else can help me out and suggest a location for this document.
Current Status:
* First draft, unreviewed.
* Drawings need work, at least one is missing. Ring-closure illustrations
need much more work to show "breaking/labeling" procedure. The current
drawings should be considered placeholders, with the hope that a good
illustrator can replace them all.
* Chemical names need checking by a real chemist. I'm just a computer
scientist who's been hanging out with chemists for three decades.
* Needs considerable work on definition of aromaticity.
* List of related projects in appendix is incomplete, need contributions (or
refer to a separate document, e.g. is there something on Blue Obelisk that
already has this information?
* Published with a Creative Commons license, this can be changed
to what's appropriate for Blue Obelisk.
I look forward to a vigorous discussion!
Craig
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