Chemical Forums

Specialty Chemistry Forums => Chemical Education and Careers => Topic started by: mrlucky0 on March 27, 2008, 11:32:14 AM

Title: Chemical Database?
Post by: mrlucky0 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.
Title: Re: Chemical Database?
Post by: Yggdrasil 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).
Title: Re: Chemical Database?
Post by: ATMyller 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.
Title: Re: Chemical Database?
Post by: ANDLOS on March 28, 2008, 10:44:42 AM: IS THERE ANY SITE THAT CAN GIVE ME FREE ACESS TO SCIFINDER I NEED IT URGENTLY
Title: Re: Chemical Database?
Post by: enahs 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 (https://www.sigmaaldrich.com/cgi-bin/hsrun/Suite7/Suite/Suite.hjx;start=Suite.HsSubstructureSearch.run?MenuItemName=SubstructureSearch)

You can then draw out the structure, or part of it, and hit search. It will find chemicals that match that structure.
Title: Re: Chemical Database?
Post by: Borek on March 28, 2008, 05:19:12 PM: Funny in a way :)
Title: Re: Chemical Database?
Post by: Mitch on March 28, 2008, 06:29:13 PM: Borek, obviously it isn't that pure. :p
Title: Re: Chemical Database?
Post by: Borek on March 28, 2008, 06:41:25 PM: To be 88.11 it should be below 1%, but they claim around 99%.

Amateurs ;)
Title: Re: Chemical Database?
Post by: agrobert on March 28, 2008, 08:09:16 PM: Quote from: Borek on March 28, 2008, 06:41:25 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
Title: Re: Chemical Database?
Post by: Mitch on March 28, 2008, 11:12:44 PM: They must of meant the MW for the impurity. :P
Title: Re: Chemical Database?
Post by: Borek on March 29, 2008, 03:39:23 AM: Quote from: agrobert on March 28, 2008, 08:09:16 PM
SA

???
Title: Re: Chemical Database?
Post by: macman104 on March 29, 2008, 02:40:52 PM: Quote from: Borek on March 29, 2008, 03:39:23 AM
Quote from: agrobert on March 28, 2008, 08:09:16 PM
SA

???
Sigma-Aldrich?
Title: Re: Chemical Database?
Post by: agrobert on March 29, 2008, 04:41:37 PM: of course
Title: Re: Chemical Database?
Post by: ANDLOS on April 01, 2008, 10:27:38 AM: NO ONE ANSEWER ME I am very sad
Title: Re: Chemical Database?
Post by: agrobert 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.
Title: Re: Chemical Database?
Post by: enahs on April 02, 2008, 09:30:27 PM: Also, the latest version of ChemSketch can connect to a couple of free databases and search based on the structure you draw. I think the free version is limited to the size of the molecules though.
Title: Re: Chemical Database?
Post by: hmx9123 on April 13, 2008, 09:26:00 PM: Asking for someone to give you access to SciFinder or other pay search programs is illegal. If you're lucky, your local university has access and will let people access it in their library. If not, you're out of luck.