国际化合物标识(InChI,英语:International Chemical Identifier)是由国际纯粹与应用化学联合会和国家标准技术研究所联合制定的,用以唯一标识化合物IUPAC名称的字符串。
英语百科
International Chemical Identifier 国际化合物标识
(重定向自INChI)
The IUPAC International Chemical Identifier (InChI/ˈɪntʃiː/IN-chee or /ˈɪŋkiː/ING-kee) is a textual identifier for chemical substances, designed to provide a standard and human-readable way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by IUPAC and NIST from 2000 to 2005, the format and algorithms are non-proprietary.