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Talk:Simplified Molecular Input Line Entry System

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This is an old revision of this page, as edited by Slashme (talk | contribs) at 09:45, 27 October 2005. The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

To be honest, I'm a SMILES novice, though I've known of its existence for years.

An unambiguous depiction of the atomic structure of molecules is crucial to successfully depicting and communicating about chemistry. Images are often indispensible to such depiction. However, there are a number of issues surrounding the generation and inclusion of images in the Wikipedia (transcluded links hosted offsite aren't part of the central encyclopedia corpus, easy software support of image loading isn't available or if available brings concern of abuse, images seem to generate more copyright concern [whether justified or not] than words contributed, etc.)

It seems that SMILES strings can serve as a very compact adjunct for depicting some molecular structures.

I encourage my fellow Wikipedian science authors to consider the use of SMILES strings in their work.

--JoeAnderson

Yes, it would certainly be a nice piece of information to add. Less for depiction perhaps, but it would certainly make information more searchable. Search by substructure would certainly be a nice thing to have.

Shyamal 12:56, 30 Jun 2004 (UTC)

Leaving atoms out

I noticed that the SMILES representations for Citric Acid and Calcium Citrate do not show the hydrogen atoms consistently. What is the deal? Say you draw a structure without H's, do you show the SMILES for the structure you drew, or for the molecule as it exists in reality? --Slashme 09:45, 27 October 2005 (UTC)[reply]

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