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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 ~~2000–2005~~2000–2005, 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 — the~~information—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\|Isotopic~~Isotop]]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"\|[[~~Image~~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> == ~~lihat~~Dokumentasi ~~pula~~dan 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~~=~~=ninja&filename~~=~~=inchi_tech_man-20060511.pdf&use_mirror~~=~~=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]] [[~~Category~~Kategori:Encodings]] [[~~Category~~Kategori:Cheminformatics]] [[~~Category~~Kategori:Identifiers]] {{kimia-stub}}