PubChem: Perbedaan antara revisi
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{{infobox biodatabase
|title = PubChem
|logo =[[Berkas:PubChem logo.svg|220px]]
|description = PubChem
|scope =
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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 [[: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 ==
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PubChem terdiri dari tiga database utama yang bertumbuh secara dinamis. Sampai 29 September 2014:
* Senyawa, 54 juta entri <ref>{{cite web|url=http://www.ncbi.nlm.nih.gov/pccompound?term=all%5Bfilt%5D&cmd=search|title=Search Results for all compounds|accessdate=29 September 2014}}</ref> (meningkat dari 31 juta entri pada Jan 2011), memuat [[senyawa kimia]] murni dan terkarakterisasi.<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pccompound|title = all[filt] - PubChem Compound Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>
* 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] - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (meningkat dari 75 juta entri pada 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] - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>), juga memuat campuran, [[:en:extract|ekstrak]], [[:en:complex (chemistry)|kompleks]] dan bahan-bahan belum terkarakterisasi.
* 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] - 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] - PubChem BioAssay Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 7 January 2011}}</ref>).
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== Pencarian ==
Pencarian dalam database dimungkinkan untuk rentang luas sifat-sifat termasuk [[struktur kimia]], potongan nama, [[rumus kimia]], [[berat molekul]], [[:en:XLogP|XLogP]], dan hitungan donor serta akseptor [[ikatan hidrogen]].
PubChem mempunyai [[:en:molecule editor|penyunting molekul]] online sendiri dengan dukungan untuk [[Simplified molecular input line entry specification|SMILES]]/SMARTS dan [[International Chemical Identifier|InChI]] yang mengizinkan impor dan ekspor semua [[:en:chemical file format|format berkas kimia]] umum untuk pencarian struktur dan fragmen.
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0:500[mw] 0:5[hbdc] 0:10[hbac] -5:5[logp]
== History ==
PubChem was released in 2004.<ref>{{cite web|url=https://pubchem.ncbi.nlm.nih.gov/about.html|title=About PubChem|accessdate=3 May 2014}}</ref>
== ACS's concerns ==
The [[American Chemical Society]] has raised concerns about the publicly supported PubChem database, since it appears to directly compete with their existing [[Chemical Abstracts Service]].<ref>{{cite journal |doi=10.1126/science.308.5723.774a |date=May 2005 |author=Kaiser J |title=Science resources. Chemists want NIH to curtail database |volume=308 |issue=5723 |pages=774 |pmid=15879180 |journal=[[Science (journal)|Science]]}}</ref> They have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the society's revenue. To advocate their position against the PubChem database, ACS has actively lobbied the US Congress.
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| • || [[Berat molekul|''Molecular Weight'' ("Berat molekul")]] || [MW], [MWT], [MOLWT]
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| • || [[Unsur kimia
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| • || Non-Hydrogen atoms || [HAC], [HACNT]
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{{Wikidata property|P662|PubChem IDs}}
* [http://pubchem.ncbi.nlm.nih.gov/ PubChem homepage]
* [http://pubchem.ncbi.nlm.nih.gov/search/ PubChem searchpage]
* [http://pubchem.ncbi.nlm.nih.gov/help.html#faq PubChem FAQ]
* [http://pubchem.ncbi.nlm.nih.gov/help.html PubChem Help]
* [http://cheminfo.informatics.indiana.edu/PubChemSR/ PubChemSR Search Aid] {{Webarchive|url=https://web.archive.org/web/20071227115807/http://cheminfo.informatics.indiana.edu/PubChemSR/ |date=2007-12-27 }}
* [http://depth-first.com/articles/2007/09/26/pubchem-for-newbies/ PubChem for Newbies]
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