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Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
http://zinc.docking.org
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Organic Reaction Retrieval System</a> - Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
http://webreactions.net
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Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
http://www.syntheticpages.org/
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InfoChem GmbH</a> - The new SpresiWeb developed by InfoChem is an integrated scientific database containing over 4.5 million molecules, 3.5 million reactions, 380,000 references, 98,000 patents covering years 1974 - 1999.
http://www.infochem.de
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ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.
http://www.stjapan.de
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Provider of chemical compound library's for HTS in vials or plates.
http://www.specs.net
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A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
http://solvdb.ncms.org/
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Distributed database used by research crystallographers to store information about 3D molecular structures.
http://www.reciprocalnet.org
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Contains HPLC and GC applications provided by major vendors of chromatography equipment. Can be searched by numerous chromatographic parameters, as well as by structure, substructure, and structural similarity.
http://www.chromdb.com
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Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
http://pubchem.ncbi.nlm.nih.gov/
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Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
http://orgsyn.org
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Offers a book containing data on over 3000 pesticides and other environmental contaminants.
http://www.nanogens.co.uk/
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Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
http://www.mdli.com
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Bibliography of infrared and Raman spectroscopy and its applications. Provides reference data (title, author(s), journal, page, date info.) collected from 123 journals, grouped into 129 classes.
http://irsldb.pu-toyama.ac.jp/
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Small molecule database of structures that have primarily been determined using single crystal X-ray diffraction. Features JAVA applets that can be used to orient and examine the molecule, and a dedicated Beowulf computer system to generate high quality rendered images. Currently contains over 2,500 molecules.
http://www.iumsc.indiana.edu
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