April 26, 2024, 09:28:11 AM
Forum Rules: Read This Before Posting


Topic: Chemical Database?  (Read 18015 times)

0 Members and 1 Guest are viewing this topic.

Offline mrlucky0

  • Regular Member
  • ***
  • Posts: 34
  • Mole Snacks: +0/-0
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

  • Retired Staff
  • Sr. Member
  • *
  • Posts: 3215
  • Mole Snacks: +485/-21
  • Gender: Male
  • Physical Biochemist
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

  • Chemist
  • Full Member
  • *
  • Posts: 223
  • Mole Snacks: +31/-6
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

  • Regular Member
  • ***
  • Posts: 17
  • Mole Snacks: +0/-2
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

  • 16-92-15-68 32-7-53-92-16
  • Retired Staff
  • Sr. Member
  • *
  • Posts: 2179
  • Mole Snacks: +206/-44
  • Gender: Male
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

  • Mr. pH
  • Administrator
  • Deity Member
  • *
  • Posts: 27664
  • Mole Snacks: +1801/-410
  • Gender: Male
  • I am known to be occasionally wrong.
    • Chembuddy
Re: Chemical Database?
« Reply #5 on: March 28, 2008, 05:19:12 PM »
Funny in a way :)
ChemBuddy chemical calculators - stoichiometry, pH, concentration, buffer preparation, titrations.info

Offline Mitch

  • General Chemist
  • Administrator
  • Sr. Member
  • *
  • Posts: 5298
  • Mole Snacks: +376/-3
  • Gender: Male
  • "I bring you peace." -Mr. Burns
    • Chemistry Blog
Re: Chemical Database?
« Reply #6 on: March 28, 2008, 06:29:13 PM »
Borek, obviously it isn't that pure. :p
Most Common Suggestions I Make on the Forums.
1. Start by writing a balanced chemical equation.
2. Don't confuse thermodynamic stability with chemical reactivity.
3. Forum Supports LaTex

Offline Borek

  • Mr. pH
  • Administrator
  • Deity Member
  • *
  • Posts: 27664
  • Mole Snacks: +1801/-410
  • Gender: Male
  • I am known to be occasionally wrong.
    • Chembuddy
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 ;)
ChemBuddy chemical calculators - stoichiometry, pH, concentration, buffer preparation, titrations.info

Offline agrobert

  • Chemist
  • Full Member
  • *
  • Posts: 629
  • Mole Snacks: +69/-17
  • Gender: Male
  • diels alder
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

  • General Chemist
  • Administrator
  • Sr. Member
  • *
  • Posts: 5298
  • Mole Snacks: +376/-3
  • Gender: Male
  • "I bring you peace." -Mr. Burns
    • Chemistry Blog
Re: Chemical Database?
« Reply #9 on: March 28, 2008, 11:12:44 PM »
They must of meant the MW for the impurity. :P
Most Common Suggestions I Make on the Forums.
1. Start by writing a balanced chemical equation.
2. Don't confuse thermodynamic stability with chemical reactivity.
3. Forum Supports LaTex

Offline Borek

  • Mr. pH
  • Administrator
  • Deity Member
  • *
  • Posts: 27664
  • Mole Snacks: +1801/-410
  • Gender: Male
  • I am known to be occasionally wrong.
    • Chembuddy
Re: Chemical Database?
« Reply #10 on: March 29, 2008, 03:39:23 AM »
ChemBuddy chemical calculators - stoichiometry, pH, concentration, buffer preparation, titrations.info

Offline macman104

  • Retired Staff
  • Sr. Member
  • *
  • Posts: 1644
  • Mole Snacks: +168/-26
  • Gender: Male

Offline agrobert

  • Chemist
  • Full Member
  • *
  • Posts: 629
  • Mole Snacks: +69/-17
  • Gender: Male
  • diels alder
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

  • Regular Member
  • ***
  • Posts: 17
  • Mole Snacks: +0/-2
Re: Chemical Database?
« Reply #13 on: April 01, 2008, 10:27:38 AM »
NO ONE ANSEWER ME I am very sad

Offline agrobert

  • Chemist
  • Full Member
  • *
  • Posts: 629
  • Mole Snacks: +69/-17
  • Gender: Male
  • diels alder
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

Sponsored Links