「InChI」の版間の差分
削除された内容 追加された内容
en:International Chemical Identifier19:33, 17 June 2014を翻訳 |
m en:Template:Cite doi/10.1186.2F1758-2946-5-715:50, 25 December 2013 (UTC)およびen:Template:Cite doi/10.1186.2F1758-2946-4-3512:50, 12 January 2013(UTC)を転記してテンプレートエラー修正 |
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8行目:
| author =
| developer = InChI Trust
| released = {{Start date|2005|04|15}}<ref>{{cite web|title=IUPAC International Chemical Identifier Project Page|url=http://www.iupac.org/home/projects/project-db/project-details.html?tx_wfqbe_pi1%5bproject_nr%5d=2000-025-1-800|work=IUPAC|accessdate=5 December 2012}}</ref><ref>{{Cite
| last1 = Heller | first1 = S.
| last2 = McNaught | first2 = A.
| last3 = Stein | first3 = S.
| last4 = Tchekhovskoi | first4 = D.
| last5 = Pletnev | first5 = I.
| title = InChI - the worldwide chemical structure identifier standard
| url = http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3599061/?tool=pmcentrez
| doi = 10.1186/1758-2946-5-7
| journal = Journal of Cheminformatics
| volume = 5
| issue = 1
| pages = 7
| year = 2013
| pmid = 23343401
| pmc =3599061
}}</ref>
| discontinued =
| latest release version = 1.04
113 ⟶ 129行目:
==採用==
InChIは、[[ChemSpider]]や[[PubChem]]等を含む大小様々なデータベースに採用されている。しかし、多くのデータベースで構造とInChIの食い違いが見られ、リンク用データベースの課題となっている<ref>{{Cite
| last1 = Akhondi | first1 = S. A.
| last2 = Kors | first2 = J. A.
| last3 = Muresan | first3 = S.
| doi = 10.1186/1758-2946-4-35
| title = Consistency of systematic chemical identifiers within and between small-molecule databases
| url = http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3539895/?tool=pmcentrez
| journal = Journal of Cheminformatics
| volume = 4
| issue = 1
| pages = 35
| year = 2012
| pmid = 23237381
| pmc =3539895
}}</ref>。
==関連項目==
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