Re: CCL:Summary of large QSAR dataset question reponses
- From: "M. Nicklaus" <mn1(-(at)-)helix.nih.gov>
- Subject: Re: CCL:Summary of large QSAR dataset question
reponses
- Date: Tue, 31 Aug 1999 14:31:32 -0400
On Tue, 31 Aug 1999, Dr. Dave Winkler wrote:
> o Several people (Marc Nicklaus (mn1(-(at)-)helix.nih.gov), Wolf-Dietrich
> Ihlenfeldt (Wolf-Dietrich.Ihlenfeldt(-(at)-)ccc.chemie.uni-erlangen.de))
mentioned
> the archive of structures and cancer and HIV data available at the NIH/NCI
> site or the Enhanced NCI Database Browser
> (http://www2.ccc.uni-erlangen.de/ncidb/ or the US mirror)
Structure files and biological data files can be downloaded from the Web
site of NCI's Developmental Therapeutics Program (DTP), at
http://dtp.nci.nih.gov/docs/3d_database/structural_information/structural_data.html
Structure files with approx. 246k open NCI compounds in SD file format can
also be downloaded from
http://cactus.cit.nih.gov/ncidb/download.html
(the "US mirror" mentioned by Dave).
Marc
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Marc C. Nicklaus National Institutes of Health
E-mail: mn1(-(at)-)helix.nih.gov Bldg 37, Rm 5B29
Phone: (301) 402-3111 37 Convent Dr, MSC 4255
Fax: (301) 496-5839 BETHESDA, MD 20892-4255 USA
http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
Laboratory of Medicinal Chemistry, National Cancer Institute
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