CCL:Summary of Searchable Chemical Database - Substructures and Similarity



Thank you all for all responses and all help.  These comments have been
 a great help.  Have a great day.
 Don
 Dear Donald,
 I have read your inquiry on CCL.NET. You should have a look at our C \\at// ROL
 system (http://www.mol-net.de/software/carol/index.html) since C
 \\at// ROL
 offers 3D pharmacophore searches, substructure searches, similarity
 searches, and innovative transformation searches in its chemical
 databases.
 Please, check also
 http://www.mol-net.de/software/carol/carol_moreinfo.html in
 order to
 download additional information material.
 On http://www.mol-net.de/software/carol/carol_demo.html you may
 have
 free access to the demo version of C \\at// ROL.
 Please, contact me for further questions.
 Best regards,
 Matthias Pfvrtner
 Hi Don,
 >
 > Try ChemNavigator at www.chemnavigator.com (you have to register).
 >
 > You'll get access to more than 12 million chemical samples, a search
 > interface, and all info to order compounds.
 >
 Another commercial (free demo accounts) alternative which is somewhat
 complementary to CAS is http://infochem.de
 SPRESIweb has 4.5 million organic and organo-metallic compounds,
 searchable by structure, substructure and reaction; 3.5 million
 reactions abstracted from 380000 references (including 98000 patents).
 Donald, ChemNavigator has an evaluation for access to their large
 database. See their website. Another large one is MDL s screening
 collection database. Otherwise, I recommend a slower step of just
 contacting vendors and getting their catalogs in SDF format shipped
 (freely available) to you regularly.
 --Ajit
 I think Asinex has a similar collection...
 Doug H
 Douglas Henry
 I suggest that you contact Tripos.  Tripos has developed a number of
 software products, e.g. UNITY, for mining data bases.
 Donald,
 Did you try the NCI database (cactvs.nci.nih.gov) ?
 Dear Mr. Keidel,
 we received your request in chemystry_at_ccl.net according a "Searchable
 Chemical Database". Have you already heard about SPRESIweb? In case not,
 we would like to introduce you SPRESIweb:
 SPRESIweb is a structure and reaction database containing 4.5 million
 organic and organometallic compounds and 3.5 million reactions
 abstracted from 380,000 references and 98,000 patents covering the
 chemical literature published since 1974.  Therefor SPRESIweb is one of
 the largest structure and reaction databases worldwide. SPRESIweb
 includes also comprehensive additional factual data on chemical,
 physical and biological properties of the compounds as well as textual
 information like keywords and conditions described in the references.
 The search can be carried out for molecules, reactions and references.
 SPRESIweb offers a lot of different links to external sources like
 several document delivery services (such as FIZ AutoDoc, CISTI and soon
 subito), patent offices (Espacenet, US Patent & Trademark Office and
 MicroPatent)and ChemNavigator.
 Unfortunately we don't have a link ready yet to an external supplier of
 chemicals as you asked in your request. In case of a special request of
 a chemical compound we could suggest www.chemie.de as a source to search
 for different suppliers who offers the compound.
 To learn more about SPRESIweb we offer you a free test account for four
 weeks to SPRESIweb. Just let us know whenever you like to  test it. We
 are pleased to help you.
 Hope this information is helpful for you
 Best Regards
 Claudia Pick and the SPRESIweb Team
 maybridge
 http://www.maybridge.com/
 provides online search of its compound database
 regards
 Fabien
 Hi Donald,
 I recall receiving a free CD from MDD with a database of virtually
 available compounds collected from hundreds of companies and
 universities around the world - maybe it could be of use?
 Their website is www.worldmolecules.com
 /Mads
 Hi Donald,
 here is a list of some companies selling chemical compounds.
 I think all of them provide their libraries in SD/MDL
 format for download or on CD. Of course you still need
 a program to do the search. We use commercial
 software, but I'm sure there are cheap or even free alternatives, at
 least to do some of the simpler things. I hope this helps, Uwe
 InterBioScreen
 ChemicalDiversity
 IFLAB
 ComGenex
 Nanosyn
 TimTec
 Aldrich
 TimTech
 SIGMA
 FLUKA
 BioNet
 Pharmeks
 OrionResearch
 TosLab
 Asinex
 Maybridge
 Specs
 Tripos
 Chembridge
 Hi Don,
 Try ChemNavigator at www.chemnavigator.com (you have to register).
 You'll get access to more than 12 million chemical samples, a search
 interface, and all info to order compounds.
 Cheers,
 Sorel.