Wednesday, August 09, 2006

Websites

Links to cheminformatics resources:

Chemoinf.com (The Chemoinformatics Hub)
http://www.chemoinf.com

Cheminformatics.org (cheminformatics programs and QSAR datasets)
http://www.cheminformatics.org

InChI - chemical identifier

InChI - Official Web Site
http://www.iupac.org/projects/2000/2000-025-1-800.html

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InChI - Unofficial Web Site
http://wwmm.ch.cam.ac.uk/inchifaq/index.html

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Conversion of InChI to images:

http://pubchem.ncbi.nlm.nih.gov/search/

Just Copy/Paste InChI in the "Search SMILES, InChI, CID or Formula:" field, click the "Sketch" button, and then you can "Export" the structure to different chemical and image file formats (including png, gif, wmf, svg and eps)

ACD/ChemSketch version 9+
http://sourceforge.net/mailarchive/forum.php?thread_id=10444290&forum_id=45166

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ChemInformatics 101
http://www.emolecules.com/doc/cheminformatics-101.htm

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