Subject: Summary: Free databases for small molecules

From: Arthur Wang <[email-masked]>
Date: Sat, 30 Nov 1996 10:29:36 -0800 (PST)

Dear Netters,

About a weeks ago, I put forward the question "Where to find free 
databases on-line for small molecules". Now I have collected many answers 
as listed below. Here we thank all the netters who have contributed.

------------------------------------------------------------------------
From: [email-masked]

You can find a 33 Mb compressed MDL SDfile format file of the NCI-3D
database (126K structures) at

ftp://helix.nih.gov/ncidata/3D/

You should read the nciopen3d.readme file there, and, I'm not sure
if it's available to just anyone.  I didnt try downloading it.  My
understanding is that these are structures submitted to NCI for testing,
which have been released for public access.  Companies like Daylight,
MDLI, and Tripos have also made these structures available as part of
their database systems.  You would need either to put the structures into
a database (e.g., depending on the size of your PC, ISIS/Base could be
used - may have to create a few subset databases), or devise a means of
extracting the desired molfiles from the sdfile.  The MDLI homepage
has a link to a description of the MDL Mol and SDfile formats, which are
quite simple.

-----------------------------------------------------------------------
From: [email-masked] (Andre Aumelas)

Dear Arthur, 
	You can get stuctures of small molecule at
http://www.ibc.wustl.edu/klotho

				Andre Aumelas

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From: "N.Ganesh" <[email-masked]>

dear arthur
         you could get the cambridge database listings from Stan Cameron
(EMAIL: [email-masked]).This is for nucleotides and nucleotides,but i 
am not to sure whether it is available free or whether one has to pay for it
                                    regards
                                           ganesh

------------------------------------------------------------------------
From: (Chemical Physics Institute)

Dear Arthur,
try 
http://www.csc.fi/lul/rtam/
with large database on relativistic compounds.
You may also try some sites where there is a lot of chemical info, like
http://hackberry.chem.niu.edu

-------------------------------------------------------------------------
From: Richard Gillilan <[email-masked]>

Check out this page, for example:

http://epnws1.ncifcrf.gov:2345/dis3d/3Ddatabase/dis3d.html

-------------------------------------------------------------------------
From: [email-masked]

To the best of our knowledge, the ChemFinder WebServer
(http://chemfinder.camsoft.com) is the largest substructure-searchable
chemical database on the Internet, with over 20,000 entries at the
moment.

Jonathan Brecher

--------------------------------------------------------------------------
From: Csonka Gabor <[email-masked]>

Dear Arthur Wang,

recently I have collected some useful structural databases.
You can visit: 
http://web.inc.bme.hu/~csonka/mke96.html

I suggest ChemFinder.

--------------------------------------------------------------------------
From: Shu-Kun Lin <[email-masked]>

Dear Dr. Wang:

MDPI is the source. Please visit http://www.mdpi.org/

Shu-Kun Lin

-------------------------THE END------------------------------------------

Best wishes,

Arthur

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_/   Arthur Wang                     Doctoral Candidate     _/
_/   Molecular Design Lab                                   _/
_/   Institute of Physical Chemistry, Peking University     _/
_/   Beijing 100871, P.R.China                              _/
_/                                                          _/ 
_/   E-mail: [email-masked]                          _/
_/   Tel: 86-10-2751490    Fax: 86-10-2751725               _/
_/   WWW: http://www.ipc.pku.edu.cn/moldes/arthur/home.html _/
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