Wikipedia

International Chemical Identifier: Perbedaan antara revisi

Jelajahi riwayat secara interaktif
← Revisi sebelumnya
Konten dihapus Konten ditambahkan
VisualTeks wiki
k Robot: Perubahan kosmetika
k Perbaikan "selesai".
 
(11 revisi perantara oleh 7 pengguna tidak ditampilkan)
Baris 8:
| 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|archive-date=2012-05-27|archive-url=https://web.archive.org/web/20120527162256/http://www.iupac.org/home/projects/project-db/project-details.html?tx_wfqbe_pi1%5Bproject_nr%5D=2000-025-1-800|dead-url=yes}}</ref><ref>{{Cite doi|10.1186/1758-2946-5-7}}</ref>
| discontinued =
| latest release version = 1.04
Baris 28:
| website = [http://www.iupac.org/home/publications/e-resources/inchi.html http://www.iupac.org/home/publications/e-resources/inchi.html]
}}
 
'''IUPAC International Chemical Identifier''' ('''InChI''') merupakan suatu [[:en:identifier|''identifier'']] tekstual untuk [[bahan kimia]], didesain sebagai standar dan cara pembacaan manusia untuk pengkodean informasi molekuler dan untuk membantu riset informasi tersebut dalam database dan web. Awalnya dikembangkan oleh [[International Union of Pure and Applied Chemistry|IUPAC]] dan [[National Institute of Standards and Technology|NIST]] selama tahun 2000&ndash;20052000–2005, format dan algoritmenya ''non-proprietary''.
Perkembangan selanjutnya standar ini telah didukung sejak tahun 2010 oleh yayasan [[nirlaba]] [[InChI Trust]], di mana IUPAC adalah salah satu anggotanya. Versi terakhir adalah 1.04 yang dirilis pada bulan [[September 2011]].
<!--
Baris 44 ⟶ 45:
but it now uses a custom license called IUPAC-InChI Trust License.<ref>http://www.inchi-trust.org/download/104/LICENCE.pdf</ref>
 
== Overview ==
The identifiers describe chemical substances in terms of ''layers'' of information &mdash; theinformation—the atoms and their bond connectivity, [[tautomer]]ic information, [[isotope]] information, [[stereochemistry]], and electronic charge information.
Not all layers have to be provided; for instance, the tautomer layer can be omitted if that type of information is not relevant to the particular application.
 
Baris 66 ⟶ 67:
-->
== Format dan lapisan ==
 
{{Infobox file format
| name = InChI format
Baris 93:
#* tetrahedral stereochemistry atom-atom dan alena/''allene'' (awalan: "t", "m")
#* jenis informasi stereokimia (awalan: "s")
# [[isotop|IsotopicIsotop]]ic layer (awalan: "i", "h", juga "b", "t", "m", "s" untuk stereokimia isotop)
# Fixed-H layer (awalan: "f"); contains some or all of the above types of layers except atom connections; may end with "o" sublayer; never included in standard InChI
# ''Reconnected layer'' (awalan: "r"); contains the whole InChI of a structure with reconnected metal atoms; never included in standard InChI
Baris 102:
{| cellpadding="10"
|align="center"|CH<sub>3</sub>CH<sub>2</sub>OH<br>[[etanol]]
|<ttcode>InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3</ttcode><br />
<ttcode>InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3</ttcode> (standard InChI)
|-
|align="center"|[[Berkas:L-Ascorbic acid.svg|150px]]<br><small>L</small>-[[asam askorbat]]
|<ttcode>InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1</ttcode><br />
<ttcode>InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m0/s1</ttcode> (standard InChI)
|}
<!--
 
== InChIKey ==
[[Image:Morphin - Morphine.svg|200px|thumb|right|Morphine structure]]
Baris 136 ⟶ 137:
 
== Pengadopsian ==
 
InChI telah diadopsi oleh banyak database besar dan kecil, termasuk [[ChemSpider]] dan [[PubChem]]. Namun, pengambilan ini tidak secara langsung, dan banyak database menunjukkan diskrepansi antara struktur kimia dan InChI yang dimuat, sehingga merupakan masalah bagi pengkaitan database.<ref>{{Cite doi|10.1186/1758-2946-4-35}}</ref>
 
== lihatDokumentasi puladan presentasi ==
* [[Molecular Query Language]]▼
* [[Simplified molecular-input line-entry system]] (SMILES)▼
* [[Molecule editor]]▼
* [[SYBYL Line Notation]]▼
 
== Referensi ==▼
{{Reflist|2}}▼
 
== Pranala luar ==▼
 
{{Wikidata property|P234|International Chemical Identifiers}}▼
 
=== Dokumentasi dan presentasi ===
* [http://www.inchi-trust.org/ InChI Trust site]
* [http://www.iupac.org/inchi/ IUPAC InChI site]
* [http://wwmm.ch.cam.ac.uk/inchifaq/ Unofficial InChI FAQ] {{Webarchive|url=https://web.archive.org/web/20120306085358/http://wwmm.ch.cam.ac.uk/inchifaq/ |date=2012-03-06 }}
* {{PDFlink|[http://sourceforge.net/project/downloading.php?groupname&#61;=ninja&filename&#61;=inchi_tech_man-20060511.pdf&use_mirror&#61;=osdn InChI Technical Manual]|335 KB}}
* [https://www.youtube.com/watch?v=mpZj4b9elYE&feature=gv]
* [http://depth-first.com/articles/2006/08/12/inchi-canonicalization-algorithm Description of the canonicalization algorithm]
* [http://lists.w3.org/Archives/Public/public-swls-ws/2004Oct/att-0019/ Googling for InChIs] a presentation to the W3C.
* [http://video.google.com/videoplay?docid=5871900250712259806 The Semantic Chemical Web: GoogleInChI and other Mashups] {{Webarchive|url=https://web.archive.org/web/20120327032143/http://video.google.com/videoplay?docid=5871900250712259806 |date=2012-03-27 }}, Google Tech Talk by Peter Murray-Rust, 13 Sept 2006
* [http://video.google.com/videoplay?docid=-6653695245776470969 IUPAC InChI] {{Webarchive|url=https://web.archive.org/web/20111125130147/http://video.google.com/videoplay?docid=-6653695245776470969 |date=2011-11-25 }}, Google Tech Talk by Steve Heller and Steve Stein, 2 November 2006
* [http://www.iupac.org/inchi/release102final.html InChI Release 1.02] {{Webarchive|url=https://web.archive.org/web/20100330213717/http://www.iupac.org/inchi/release102final.html |date=2010-03-30 }} InChI final version 1.02 and explanation of Standard InChI, January 2009
 
=== Software dan servis ===
* [http://cactus.nci.nih.gov/chemical/structure NCI/CADD Chemical Identifier Resolver] Generates and resolves InChI/InChIKeys and many other chemical identifiers
* [http://www.chemspider.com/inchi%2Dresolver/ ChemSpider InChI resolver]
* [http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchigoogle&JavaScript=enabled/ Search Google for molecules] {{Webarchive|url=https://web.archive.org/web/20060117153546/http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchigoogle |date=2006-01-17 }} (generates InChI from interactive chemical and searches Google for any pages with embedded InChIs). Requires Javascript enabled on browser
* [http://www.acdlabs.com/download/chemsk.html ChemSketch] {{Webarchive|url=https://web.archive.org/web/20061018183315/http://www.acdlabs.com/download/chemsk.html |date=2006-10-18 }}, free chemical structure drawing package that includes input and output in InCHI format
* [http://pubchem.ncbi.nlm.nih.gov/edit/index.html PubChem online molecule editor] that supports [[SMILES]]/SMARTS and InChI
* [http://www.chemspider.com/Services.aspx? ChemSpider Services] that allows generation of InChI and conversion of InChI to structure (also SMILES and generation of other properties)
* [http://www.chemaxon.com/demosite/marvin/index.html MarvinSketch] {{Webarchive|url=https://web.archive.org/web/20070404073952/http://www.chemaxon.com/demosite/marvin/index.html |date=2007-04-04 }} from [[ChemAxon]], implementation to draw structures (or open other file formats) and output to InChI file format
* [http://bkchem.zirael.org/inchi_en.html BKchem] {{Webarchive|url=https://web.archive.org/web/20070609183704/http://bkchem.zirael.org/inchi_en.html |date=2007-06-09 }} implements its own InChI parser and uses the IUPAC implementation to generate InChI strings
* [http://www.compoundsearch.com CompoundSearch] implements an InChI and InChI Key search of spectral libraries
* [http://jni-inchi.sourceforge.net/ JNI-InChI] Java library that wraps the InChI library
* the [[Chemistry Development Kit]] uses JNI-InChI to generate InChIs, can convert InChIs into structures, and generate tautomers based on the InChI algorithms
* [[Bioclipse]] generates InChI and InChIKeys for drawn structures or opened files
 
▲== Referensi ==
▲{{Reflist|2}}
 
▲== Pranala luar ==
▲{{Wikidata property|P234|International Chemical Identifiers}}
 
== Lihat pula ==
▲* [[Molecular Query Language]]
▲* [[Simplified molecular-input line-entry system]] (SMILES)
▲* [[Molecule editor]]
▲* [[SYBYL Line Notation]]
 
{{Authority control}}
 
[[Kategori:Kimia]]
Baris 182 ⟶ 183:
[[Kategori:Cheminformatics]]
[[Kategori:Identifiers]]
 
 
{{kimia-stub}}
Diperoleh dari "https://wiki-indonesia.club/wiki/International_Chemical_Identifier"