VMD-L Mailing List
From: root (root_at_liposome.genebee.msu.su)
Date: Fri Dec 05 1997 - 05:08:29 CST
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- In reply to: Salvatore Guccione: "Re: molecular representation: new lead generation software"
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On Thu, 4 Dec 1997, Salvatore Guccione wrote:
> Date: Thu, 4 Dec 1997 13:43:51 +0300
> From: Salvatore Guccione <SALVGUC_at_mail.tau.it>
> To: vmd-l_at_ks.uiuc.edu
> Subject: Re: molecular representation: new lead generation software
>
> As far as I know that the 2D moleucle graph can be coded in a linear
> form>which called SMILES code. I am not very familiar with this concept and
> just know it. May be you give me some suggestions?
This is somewhat off-topic for this list. Check out the following SMILES
online tutorial.
http://www.daylight.com/dayhtml/smiles/smiles-intro.html
The Computational Chemistry List has discussed the issue exhaustively.
http://ccl.osc.edu/ccl/chemistry.text.html
Check out its archives:
http://ccl.osc.edu/ccl/cca.text.html
As to GA matters, there are online resources galore. A good starting site
is
Use your favourite search engine.
Regards,
Eugene
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