InChI: A user's perspective

Journal of Cheminformatics

Volumn 4, Issue 1, 2012, Pages

  Bachrach, Steven M ^a  

^a TRINITY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84872068152     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-4-34     Document Type: Review

References (14)

1. Natural-product synthesis: Stitching together palau'amine. Romo D, Nat Chem 2010 2 159 160 10.1038/nchem.565 21124468
2. CAS REGISTRY and CAS Registry Number FAQs, http://www.cas.org/content/ chemical-substances/faqs
3. Maizell RE, How to Find Chemical Information New York: John Wiley and Sons 3 1998
4. SMILES-A Simplified Chemical Language, http://www.daylight.com/dayhtml/ doc/theory/theory.smiles.html
5. InChI FAQ, http://www.inchi-trust.org/fileadmin/user-upload/html/ inchifaq/inchi-faq.html
6. InChI Software Downlaods, http://www.inchi-trust.org/downloads/
7. InChI Trust, http://www.inchi-trust.org/
8. ACD Labs ChemSketch, http://www.acdlabs.com/products/draw-nom/draw/ chemsketch/
9. Accelrys Draw, http://accelrys.com/products/informatics/cheminformatics/ draw/
10. Chemdraw, http://www.cambridgesoft.com/Ensemble-for-Chemistry/ChemDraw/
11. International Chemical Identifier, http://en.wikipedia.org/wiki/ International-Chemical-Identifier#InChIKey
12. Computational Organic Chemistry Blog, http://comporgchem.com/blog/
13. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited. Dalby A, Nourse JG, Hounshell WD, Gushurst AKI, Grier DL, Leland BA, Laufer J, J Chem Inf Comput Sci 1992 32 244 255
14. The RInChI Project, http://www-rinchi.ch.cam.ac.uk/