PubChem: Perbedaan antara revisi
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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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* 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> (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] - 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] - 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>).
== 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 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.▼
▲PubChem
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]].▼
▲<!--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.
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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>
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