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Topic: Chemical Database?  (Read 19302 times)

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Offline mrlucky0

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Chemical Database?
« on: March 27, 2008, 11:32:14 AM »
Lately I've been using http://www.drugbank.ca/ to identify some drugs my instructor didn't go over in his notes. One of the search methods allows me to indentify a drug just by drawing the structure in the Java Applet and converting to .mol. I wanted to know if there was any databases with this useful feature to identify chemicals in general.

Offline Yggdrasil

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Re: Chemical Database?
« Reply #1 on: March 27, 2008, 02:07:45 PM »
I believe the Beilstein Crossfire program lets you search through their database by drawing the structures (or importing from ChemDraw).

Offline ATMyller

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Re: Chemical Database?
« Reply #2 on: March 28, 2008, 07:27:32 AM »
Scifinder Scholar also has a search based on molecular structure. You can search either specific compound or part of a larger structure or reaction.
Chemists do it periodically on table.

Offline ANDLOS

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Re: Chemical Database?
« Reply #3 on: March 28, 2008, 10:44:42 AM »
IS THERE ANY SITE THAT CAN GIVE ME FREE ACESS TO SCIFINDER I NEED  IT URGENTLY

Offline enahs

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Re: Chemical Database?
« Reply #4 on: March 28, 2008, 04:23:31 PM »
Actually, there is another option, and I use it all the time to find possible candidates for internal standards and such.
The only down-side is Sigma-Aldrich has to have it in their inventory (which is nearly every chemical anyway).

If you go here

You can then draw out the structure, or part of it, and hit search. It will find chemicals that match that structure.





Offline Borek

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Re: Chemical Database?
« Reply #5 on: March 28, 2008, 05:19:12 PM »
Funny in a way :)
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Offline Mitch

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Re: Chemical Database?
« Reply #6 on: March 28, 2008, 06:29:13 PM »
Borek, obviously it isn't that pure. :p
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Offline Borek

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Re: Chemical Database?
« Reply #7 on: March 28, 2008, 06:41:25 PM »
To be 88.11 it should be below 1%, but they claim around 99%.

Amateurs ;)
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Offline agrobert

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Re: Chemical Database?
« Reply #8 on: March 28, 2008, 08:09:16 PM »
To be 88.11 it should be below 1%, but they claim around 99%.

Amateurs ;)

Haha, too bad there's no way around SA
In the realm of scientific observation, luck is only granted to those who are prepared. -Louis Pasteur

Offline Mitch

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Re: Chemical Database?
« Reply #9 on: March 28, 2008, 11:12:44 PM »
They must of meant the MW for the impurity. :P
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Offline Borek

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Re: Chemical Database?
« Reply #10 on: March 29, 2008, 03:39:23 AM »
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Offline macman104

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Offline agrobert

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Re: Chemical Database?
« Reply #12 on: March 29, 2008, 04:41:37 PM »
of course
In the realm of scientific observation, luck is only granted to those who are prepared. -Louis Pasteur

Offline ANDLOS

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Re: Chemical Database?
« Reply #13 on: April 01, 2008, 10:27:38 AM »
NO ONE ANSEWER ME I am very sad

Offline agrobert

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Re: Chemical Database?
« Reply #14 on: April 01, 2008, 01:32:06 PM »
SciFinder is expensive.  Any free access would be through a University or Private company that you work for.  Any other access would be illegal.
In the realm of scientific observation, luck is only granted to those who are prepared. -Louis Pasteur

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