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Structure search on the net   Message List  
Reply | Forward Message #96 of 164 |
Re: Structure search on the net

HI everyone,

ChemAxon (100 Java so relevant to thisi list however it goes :) have a
search implementation here :
http://www.jchem.com/index.html?content=examples.html

You can input structures and perform exact, similarity, substructure
and pharmacophore searching of a few available databases. We are
working to extend the available databases.

Cheers

Alex
--- In ChemistrySoftware@yahoogroups.com, "Armel Le Bail" <alb@c...>
wrote:
> Hi,
>
> > Does someone know of an "open" molecule structure search on the
net ?
>
> Try the COD (Crystallography Open Database) at :
> http://www.crystallography.net/
> However, that very young database contains only ~15000 entries
> instead of the known ~400000... The number of organic and
> organometallic entries is rather small. Up to you to add your
> own atomic coordinates. There is also a growing subset
> of predicted inorganic crystal structures.
>
> Armel Le Bail





Tue Sep 7, 2004 10:58 am

alexa4130
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Message #96 of 164 |
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Hello everybody ! Does someone know of an "open" molecule structure search on the net ? What I am looking for is a service consisting of two parts: first, it...
Pernilla Sund
pfnyrtz
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Aug 16, 2004
1:28 am

Hello everybody ! Does someone know of an "open" molecule structure search on the net ? What I am looking for is a service consisting of two parts: first, it ...
pfnyrtz
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Aug 16, 2004
2:06 am

Hi, ... Try the COD (Crystallography Open Database) at : http://www.crystallography.net/ However, that very young database contains only ~15000 entries instead...
Armel Le Bail
armellebail
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Aug 19, 2004
3:41 pm

HI everyone, ChemAxon (100 Java so relevant to thisi list however it goes :) have a search implementation here : ...
alexa4130
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Sep 7, 2004
11:04 am

Hi, Who can explain what really happened to the http://www.webmolecules.com/ Web site and to Molecular Arts Corporation ? Before disappearing in the year 2000,...
Armel Le Bail
armellebail
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Sep 7, 2004
11:47 am

... The site mentioned there simply took the public domain NCI data, removed all mention of its original source, and re-labeled it as originating at...
Jonathan Brecher
jonathanbrecher
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Sep 7, 2004
10:57 pm
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