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'''PubChem''' adalah [[database]] [[molekul]] [[kimia]] dan aktivitasnya terhadap penelitian biologi. Sistem ini dipelihara oleh [[:en:National Center for Biotechnology Information|National Center for Biotechnology Information]] (NCBI), suatu komponen pada [[National Library of Medicine]], yang merupakan bagian dari [[National Institutes of Health]] (NIH) [[Amerika Serikat]]. PubChem dapat diakses secara gratis melalui suatu [[:en:web user interface|web user interface]]. Jutaan struktur senyawa dan dataset pemeriannya dapat didownload secara gratis melalui [http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch-help.html FTP]. PubChem memuat pemerian bahan-bahan dan molekul kecil yang terbentuk kurang dari 1000 atom dan 1000 ikatan. Lebih dari 80 vendor database berkontribusi pada database PubChem yang terus bertumbuh.<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/sources/sources.cgi|title = PubChem Source Information|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>
'''PubChem''' adalah [[database]] [[molekul]] [[kimia]] dan aktivitasnya terhadap penelitian biologi. Sistem ini dipelihara oleh [[:en:National Center for Biotechnology Information|National Center for Biotechnology Information]] (NCBI), suatu komponen pada [[:en:National Library of Medicine|National Library of Medicine]], yang merupakan bagian dari [[National Institutes of Health]] (NIH) [[Amerika Serikat]]. PubChem dapat diakses secara gratis melalui suatu [[:en:web user interface|web user interface]]. Jutaan struktur senyawa dan dataset pemeriannya dapat didownload secara gratis melalui [http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch-help.html FTP]. PubChem memuat pemerian bahan-bahan dan molekul kecil yang terbentuk kurang dari 1000 atom dan 1000 ikatan. Lebih dari 80 vendor database berkontribusi pada database PubChem yang terus bertumbuh.<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/sources/sources.cgi|title = PubChem Source Information|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>


== Database ==
== Database ==
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* Bahan, 163,5 juta entri<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcsubstance|title = all[filt&#93; - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (up from 75 million entries in Jan 2011<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcsubstance|title = all[filt&#93; - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>), contains also mixtures, [[extract]]s, [[complex (chemistry)|complexes]] and uncharacterized substances.
* Bahan, 163,5 juta entri<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcsubstance|title = all[filt&#93; - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (up from 75 million entries in Jan 2011<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcsubstance|title = all[filt&#93; - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>), contains also mixtures, [[extract]]s, [[complex (chemistry)|complexes]] and uncharacterized substances.
* BioAssay, hasil-hasil [[:en:bioactivity|bioaktivitas]] dari 6059 program [[:en:high-throughput screening|high-throughput screening]] dengan beberapa juta nilai<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcassay|title = all[filt&#93; - PubChem BioAssay Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (meningkat dari 1644 pada Jan 2011<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcassay|title = all[filt&#93; - PubChem BioAssay Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>).
* BioAssay, hasil-hasil [[:en:bioactivity|bioaktivitas]] dari 6059 program [[:en:high-throughput screening|high-throughput screening]] dengan beberapa juta nilai<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcassay|title = all[filt&#93; - PubChem BioAssay Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (meningkat dari 1644 pada Jan 2011<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pcassay|title = all[filt&#93; - PubChem BioAssay Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>).
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== Searching ==


== Pencarian ==
Searching the databases is possible for a broad range of properties including chemical structure, name fragments, [[chemical formula]], [[Molecular mass|molecular weight]], [[XLogP]], and [[hydrogen bond]] donor and acceptor count.


Pencarian dalam database dimungkinkan untuk rentang luas sifat-sifat termasuk struktur kimia, potongan nama, [[rumus kimia]], [[berat molekul]], [[XLogP]], dan hitungan donor serta akseptor [[ikatan hidrogen]].
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PubChem contains its own online [[molecule editor]] with [[Simplified molecular input line entry specification|SMILES]]/SMARTS and [[International Chemical Identifier|InChI]] support that allows the import and export of all common [[chemical file format]]s to search for structures and fragments.


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PubChem mempunyai online [[molecule editor]] sendiri dengan dukungan untuk [[Simplified molecular input line entry specification|SMILES]]/SMARTS dan [[International Chemical Identifier|InChI]] yang mengizinkan impor dan ekspor semua [[chemical file format]] umum untuk pencarian struktur dan fragmen.
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Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and InChI strings, bioactivity, and links to structurally related compounds and other NCBI databases like [[PubMed]].

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<!--Each hit provides information about synonyms, chemical properties, chemical structure including SMILES and InChI strings, bioactivity, and links to structurally related compounds and other NCBI databases like [[PubMed]].


In the text search form the database fields can be searched by adding the field name in square brackets to the search term. A numeric range is represented by two numbers separated by a colon. The search terms and field names are case-insensitive. Parentheses and the [[logical operator]]s AND, OR, and NOT can be used. AND is assumed if no operator is used.
In the text search form the database fields can be searched by adding the field name in square brackets to the search term. A numeric range is represented by two numbers separated by a colon. The search terms and field names are case-insensitive. Parentheses and the [[logical operator]]s AND, OR, and NOT can be used. AND is assumed if no operator is used.
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Soon after PubChem's creation, the [[American Chemical Society]] lobbied [[Congress of the United States|U.S. Congress]] to restrict the operation of PubChem, which they asserted competes with their [[Chemical Abstracts Service]].<ref>{{Cite web|url = http://osc.universityofcalifornia.edu/news/acs_pubchem.html|title = PubChem and the American Chemical Society|work = Reshaping Scholarly Communication|location = USA|publisher = University of California}}</ref>
Soon after PubChem's creation, the [[American Chemical Society]] lobbied [[Congress of the United States|U.S. Congress]] to restrict the operation of PubChem, which they asserted competes with their [[Chemical Abstracts Service]].<ref>{{Cite web|url = http://osc.universityofcalifornia.edu/news/acs_pubchem.html|title = PubChem and the American Chemical Society|work = Reshaping Scholarly Communication|location = USA|publisher = University of California}}</ref>
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== Database fields ==
== Bidang-bidang database ==
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==Lihat pula ==
==Lihat pula ==


Revisi per 5 Januari 2015 22.42

PubChem
Konten
DeskripsiPubChem
Kontak
Kutipan utamaPMID 15879180
Akses
URL pengunduhanFTP
Perangkat
Lain-lain
LisensiRanah publik

PubChem adalah database molekul kimia dan aktivitasnya terhadap penelitian biologi. Sistem ini dipelihara oleh National Center for Biotechnology Information (NCBI), suatu komponen pada National Library of Medicine, yang merupakan bagian dari National Institutes of Health (NIH) Amerika Serikat. PubChem dapat diakses secara gratis melalui suatu web user interface. Jutaan struktur senyawa dan dataset pemeriannya dapat didownload secara gratis melalui FTP. PubChem memuat pemerian bahan-bahan dan molekul kecil yang terbentuk kurang dari 1000 atom dan 1000 ikatan. Lebih dari 80 vendor database berkontribusi pada database PubChem yang terus bertumbuh.[1]

Database

PubChem terdiri dari tiga database utama yang bertumbuh secara dinamis. Sampai 29 September 2014:

  • Senyawa, 54 juta entri [2] (up from 31 million entries in Jan 2011), contains pure and characterized chemical compounds.[3]
  • Bahan, 163,5 juta entri[4] (up from 75 million entries in Jan 2011[5]), contains also mixtures, extracts, complexes and uncharacterized substances.
  • BioAssay, hasil-hasil bioaktivitas dari 6059 program high-throughput screening dengan beberapa juta nilai[6] (meningkat dari 1644 pada Jan 2011[7]).

Pencarian

Pencarian dalam database dimungkinkan untuk rentang luas sifat-sifat termasuk struktur kimia, potongan nama, rumus kimia, berat molekul, XLogP, dan hitungan donor serta akseptor ikatan hidrogen.

PubChem mempunyai online molecule editor sendiri dengan dukungan untuk SMILES/SMARTS dan InChI yang mengizinkan impor dan ekspor semua chemical file format umum untuk pencarian struktur dan fragmen.

Bidang-bidang database


Identification numbers
• Identification number in current database [UID]
• Substance identification number [SID]
• Compound identification number [CID]
• BioAssay identification number [BAID], [AID]

General
• Any database field [ALL]
• Comment [CMT]
• Deposition date [DDAT], [DEPDAT]
• Depositor's external ID [SRID], [SRCID]
• Source name [SRC], [SRCNAM], [SRCNAME]
• Source release date [SRD], [SRDAT], [RLSDAT]
• Medical Subject Heading (MeSH) term [MSHT], [MESHT]
• MeSH tree node [MSHN], [MESHTN]
• MeSH pharmacological actions [PHMA], [PHARMA]

Substance properties
• Substance synonyms [SYNO]
• IUPAC name [UPAC], [IUPAC]
• International Chemical Identifier (InChI) [INCHI]
• Molecular weight [MW], [MWT], [MOLWT]
• Chemical elements [ELMT], [EL]
• Non-Hydrogen atoms [HAC], [HACNT]
• Isotope count [IAC], [IACNT]
• Total formal charge [TFC], [CHG], [CHRG]
• Chiral atom count [ACC], [ACCNT]
• Defined chiral atom count [ACDC], [ACDCNT]
• Undefined chiral atom count [ACUC], [ACUCNT]
• Hydrogen bond acceptor count [HBAC], [HBACNT]
• Hydrogen bond donor count [HBDC], [HBDCNT]
• Tautomer count [TC], [TCNT], [TTMC]
• Rotatable bond count [RBC], [RBCNT]
• XLogP[8] [XLGP], [LOGP]

Compound properties
• Compound synonyms [CSYN], [CSYNO]
• Component count [CC], [CCNT]
• Covalent unit (molecule) count [CUC], [CUCNT]
• Total bioactivity count [TAC]

Lihat pula

Referensi

  1. ^ "PubChem Source Information". The PubChem Project. USA: National Center for Biotechnology Information. 
  2. ^ "Search Results for all compounds". Diakses tanggal 29 September 2014. 
  3. ^ "all[filt] - PubChem Compound Results". The PubChem Project. USA: National Center for Biotechnology Information. Diakses tanggal 7 January 2011. 
  4. ^ "all[filt] - PubChem Substance Results". The PubChem Project. USA: National Center for Biotechnology Information. Diakses tanggal 29 September 2014. 
  5. ^ "all[filt] - PubChem Substance Results". The PubChem Project. USA: National Center for Biotechnology Information. Diakses tanggal 7 January 2011. 
  6. ^ "all[filt] - PubChem BioAssay Results". The PubChem Project. USA: National Center for Biotechnology Information. Diakses tanggal 29 September 2014. 
  7. ^ "all[filt] - PubChem BioAssay Results". The PubChem Project. USA: National Center for Biotechnology Information. Diakses tanggal 7 January 2011. 
  8. ^ Cheng T (Nov 2007). "Computation of octanol-water partition coefficients by guiding an additive model with knowledge". Journal of Chemical Information and Modeling. 47 (6): 2140–2148. doi:10.1021/ci700257y. PMID 17985865. 

Pranala luar

Wikidata memiliki sebuah properti, P662, untuk PubChem IDs (lihat penggunaan)
Diperoleh dari "https://id.wikipedia.org/w/index.php?title=PubChem&oldid=8362272"