Subject: Chemistry Databases/Services (Small Molecule) on the Web

From: "M. Nicklaus" <[email-masked]>
Date: Mon, 23 Jul 2001 19:33:40 -0400 (Eastern Daylight Time)

I'm trying to compile a list of all the Web sites offering chemical
structural databases (small molecule) that have at least one of the
following capabilities:

- Search by (sub-) structure
- Display of the structure, at least in 2D (not just a name)
- Download/save a structure in a computer-readable format (SD, PDB...)
- Retrieve/dump large parts of the database (or even the entire DB) in
  bulk form, again in a computer-readable format
- Perform some kind of calculation on the structure (e.g. physicochemical
  properties etc.)
- At least 100 molecules available
- Accessible with just a Web browser, possibly with some easily obtainable
  plugin (this excludes services that require a special application, such
  as SciFinder)

These sites may be academic, commercial, government, non-profit.  Required
fees or subscription is not a disqualifier, but should be noted.

I already have a certain number of such URLs; but I want to make sure
that I don't overlook anything.  I'll post a summary of course.

TIA,

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus, Ph.D.                 NIH/NCI at Frederick
 E-mail: [email-masked]               Bldg 376, Rm 207
 Phone:  (301) 846-5903                  376 Boyles Street
 Fax:    (301) 846-6033                  FREDERICK, MD 21702      USA
          Head, Computer-Aided Drug Design MiniCore Facility
     Laboratory of Medicinal Chemistry, Center for Cancer Research,
 National Cancer Institute at Frederick, National Institutes of Health
       http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
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