InChI - the worldwide chemical structure identifier standard

被引：342

作者：

Heller, Stephen ^{[1
]}

McNaught, Alan ^{[1
]}

Stein, Stephen ^{[1
]}

Tchekhovskoi, Dmitrii ^{[1
]}

Pletnev, Igor ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, NIST, InChI Trust, Dept Chem, Moscow, Russia

来源：

JOURNAL OF CHEMINFORMATICS | 2013年 / 5卷

关键词：

Structure Representation; IUPAC Nomenclature; Chemical Nomenclature; Chemical Identifier; InChI String;

D O I：

10.1186/1758-2946-5-7

中图分类号：

O6 [化学];

学科分类号：

070301 [无机化学];

摘要：

Since its public introduction in 2005 the IUPAC InChI chemical structure identifier standard has become the international, worldwide standard for defined chemical structures. This article will describe the extensive use and dissemination of the InChI and InChIKey structure representations by and for the world-wide chemistry community, the chemical information community, and major publishers and disseminators of chemical and related scientific offerings in manuscripts and databases.

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