InChI, the IUPAC International Chemical Identifier
Identifieur interne : 000811 ( Main/Merge ); précédent : 000810; suivant : 000812InChI, the IUPAC International Chemical Identifier
Auteurs : Stephen R. Heller [États-Unis] ; Alan Mcnaught [Royaume-Uni] ; Igor Pletnev [Russie] ; Stephen Stein [États-Unis] ; Dmitrii Tchekhovskoi [États-Unis]Source :
- Journal of Cheminformatics [ 1758-2946 ] ; 2015.
Abstract
This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
Url:
DOI: 10.1186/s13321-015-0068-4
PubMed: 26136848
PubMed Central: 4486400
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PMC:4486400Le document en format XML
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Heller</name><affiliation wicri:level="2"><nlm:aff id="Aff1">Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8362 USA</nlm:aff><country xml:lang="fr">États-Unis</country><placeName><region type="state">Maryland</region></placeName><wicri:cityArea>Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg</wicri:cityArea></affiliation></author><author><name sortKey="Mcnaught, Alan" sort="Mcnaught, Alan" uniqKey="Mcnaught A" first="Alan" last="Mcnaught">Alan Mcnaught</name><affiliation wicri:level="1"><nlm:aff id="Aff2">InChI Trust, Cambridge, UK</nlm:aff><country xml:lang="fr">Royaume-Uni</country><wicri:regionArea>InChI Trust, Cambridge</wicri:regionArea><wicri:noRegion>Cambridge</wicri:noRegion></affiliation></author><author><name sortKey="Pletnev, Igor" sort="Pletnev, Igor" uniqKey="Pletnev I" first="Igor" last="Pletnev">Igor Pletnev</name><affiliation wicri:level="1"><nlm:aff id="Aff3">Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia</nlm:aff><country xml:lang="fr">Russie</country><wicri:regionArea>Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow</wicri:regionArea><placeName><settlement type="city">Moscou</settlement><region>District fédéral central</region></placeName></affiliation></author><author><name sortKey="Stein, Stephen" sort="Stein, Stephen" uniqKey="Stein S" first="Stephen" last="Stein">Stephen Stein</name><affiliation wicri:level="2"><nlm:aff id="Aff1">Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8362 USA</nlm:aff><country xml:lang="fr">États-Unis</country><placeName><region type="state">Maryland</region></placeName><wicri:cityArea>Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg</wicri:cityArea></affiliation></author><author><name sortKey="Tchekhovskoi, Dmitrii" sort="Tchekhovskoi, 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Stobaugh</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Mckay, Bd" uniqKey="Mckay B">BD McKay</name></author></analytic></biblStruct><biblStruct></biblStruct><biblStruct><analytic><author><name sortKey="Hartke, Sg" uniqKey="Hartke S">SG Hartke</name></author><author><name sortKey="Radcliffe, A" uniqKey="Radcliffe A">A Radcliffe</name></author></analytic></biblStruct><biblStruct></biblStruct><biblStruct><analytic><author><name sortKey="Agarwal, Kk" uniqKey="Agarwal K">KK Agarwal</name></author><author><name sortKey="Gelernter, Hl" uniqKey="Gelernter H">HL Gelernter</name></author></analytic></biblStruct><biblStruct></biblStruct><biblStruct><analytic><author><name sortKey="Pletnev, I" uniqKey="Pletnev I">I Pletnev</name></author><author><name sortKey="Erin, A" uniqKey="Erin A">A Erin</name></author><author><name sortKey="Mcnaught, A" uniqKey="Mcnaught A">A McNaught</name></author><author><name sortKey="Blinov, K" uniqKey="Blinov K">K Blinov</name></author><author><name sortKey="Tchekhovskoi, D" uniqKey="Tchekhovskoi D">D Tchekhovskoi</name></author><author><name sortKey="Heller, S" uniqKey="Heller S">S Heller</name></author></analytic></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI></record>Pour manipuler ce document sous Unix (Dilib)
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