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161 bita ditambahkan, 4 tahun yang lalu
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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> (upmeningkat fromdari 31 millionjuta entriesentri inpada Jan 2011), containsmemuat puresenyawa andkimia characterizedmurni chemicaldan compoundsterkarakterisasi.<ref>{{Cite web|url = http://www.ncbi.nlm.nih.gov/sites/entrez?term=all%5Bfilt%5D&cmd=search&db=pccompound|title = all[filt&#93; - 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&#93; - PubChem Substance Results|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|accessdate = 29 September 2014}}</ref> (upmeningkat fromdari 75 millionjuta entriesentri inpada 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>), containsjuga alsomemuat mixturescampuran, [[:en:extract|ekstrak]]s, [[:en:complex (chemistry)|complexeskompleks]] anddan bahan-bahan uncharacterizedbelum substancesterkarakterisasi.
* 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>).
 
== 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 online [[: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.
 
<!--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]].
{|
|-
| colspan="3" | <br /> '''IdentificationNomor numbersidentifikasi'''
|-
| • || Identification number in current database || [UID]
| colspan="3" | <br /> '''General'''
|-
| • || AnySemua databasebidang fielddatabase || [ALL]
|-
| • || Comment ("Komentar") || [CMT]
|-
| • || Deposition date || [DDAT], [DEPDAT]
| colspan="3" | <br /> '''Substance properties'''
|-
| • || SubstanceSinonim (''synonym'') bahan synonyms || [SYNO]
|-
| • || Nama [[IUPAC name]] || [UPAC], [IUPAC]
|-
| • || [[International Chemical Identifier]] (InChI) || [INCHI]
|-
| • || [[MolecularBerat massmolekul|''Molecular weightWeight'' ("Berat molekul")]] || [MW], [MWT], [MOLWT]
|-
| • || [[ChemicalUnsur elementkimia|Unsur kimia (''Element'')]]s || [ELMT], [EL]
|-
| • || Non-Hydrogen atoms || [HAC], [HACNT]
|-
| • || Hitungan [[IsotopeIsotop]] count || [IAC], [IACNT]
|-
| • || Total [[formal charge]] || [TFC], [CHG], [CHRG]
|-
| • || [[:en:Chirality (chemistry)|Chiral]] atom count || [ACC], [ACCNT]
|-
| • || Defined chiral atom count || [ACDC], [ACDCNT]
| • || Rotatable bond count || [RBC], [RBCNT]
|-
| • || [[:en:XLogP|XLogP]]<ref>{{cite journal |doi=10.1021/ci700257y |date=Nov 2007 |author=Cheng T |title=Computation of octanol-water partition coefficients by guiding an additive model with knowledge |volume=47 |issue=6 |pages=2140–2148 |pmid=17985865 |journal=[[Journal of Chemical Information and Modeling]]}}</ref> || [XLGP], [LOGP]
|-
| colspan="3" | <br /> '''Compound properties'''
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