InChI, the IUPAC International Chemical Identifier

被引:0
作者
Stephen R Heller
Alan McNaught
Igor Pletnev
Stephen Stein
Dmitrii Tchekhovskoi
机构
[1] Biomolecular Measurement Division,Department of Chemistry
[2] National Institute of Standards and Technology,undefined
[3] InChI Trust,undefined
[4] Lomonosov Moscow State University,undefined
来源
Journal of Cheminformatics | / 7卷
关键词
InChI; InChIKey; Chemical structure linear notation; Chemical identifier; IUPAC standard;
D O I
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中图分类号
学科分类号
摘要
This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
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