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International Chemical Identifier: Difference between revisions - Wikipedia

International Chemical Identifier: Difference between revisions

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Remove incorrect hedge "(if present at all)"
ref pronounciation is officially "IN-chee"
 
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The '''International Chemical Identifier''' ('''InChI''', <small>pronounced</small> {{IPAc-en|ˈ|ɪ|n|tʃ|iː}} {{respell|IN|chee}} or )<ref>{{IPAc-encite web |ˈtitle=What on Earth is InChI? |ɪ|ŋurl=https://iupac.org/100/stories/what-on-earth-is-inchi/ |k|iː}}website=IUPAC 100 {{respell|ING|keeaccess-date=10 May 2024}})</ref> is a textual [[identifier]] for [[chemical substance]]s, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by the [[International Union of Pure and Applied Chemistry]] (IUPAC) and [[National Institute of Standards and Technology]] (NIST) from 2000 to 2005, the format and algorithms are non-proprietary. Since May 2009, it has been developed by the InChI Trust, a nonprofit charity from the [[United Kingdom]] which works to implement and promote the use of InChI.<ref>{{Cite web |title=The InChI Trust and IUPAC |url=https://www.inchi-trust.org/iupac/ |access-date=August 22, 2022 |publisher=InChI Trust}}</ref>
 
The identifiers describe chemical substances in terms of ''layers'' of information &mdash; the atoms and their bond connectivity, [[tautomer]]ic information, [[isotope]] information, [[stereochemistry]], and electronic charge information.<ref name=inchi2015>{{cite journal |first1=S.R. |last1=Heller |first2=A. |last2=McNaught |first3=I. |last3=Pletnev |first4=S. |last4=Stein |first5=D. |last5=Tchekhovskoi |title=InChI, the IUPAC International Chemical Identifier |journal=Journal of Cheminformatics |volume=7 |year=2015 |pages=23 |doi=10.1186/s13321-015-0068-4 |pmc=4486400 |pmid=26136848 |doi-access=free }}</ref>