[Zinc-fans] Zinc-fans Digest, Vol 37, Issue 1

[Florian Haberl]

Hi,

On Wednesday, 30. July 2008, jianping zhou wrote:

I am new here. I can download molecules in SMILES or SDF format, but
if I need more information such as compound name,  IUPAC name, formula, and 
structure etc.., what would be the best way to get thse information?

The compound name is rather generic

IUPAC names could be generated with Chemdraw or for example CDK tool kit.
It depends on how many molecules you want to parse and if you want commercial 
tools like MOE.

Of course there are also other programs around to work with.


Thanks,

-jian



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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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