Revision 1023896 of "PubChem" on mgwiki

'''PubChem''' dia ny banky angona ' [[Simia|simika]] molekiola sy ny vokany eo amin'ny biolojika fandalinana. Ny rafitra dia foana ny foibem-Pirenena ho an'ny ara-pambolena vaovao (National Center for ara-pambolena Vaovao (NCBI), ao amin ' ny National library ny fanafody (National Library of Medicine), izay mpikambana ao amin'ny National Institiota fianarana ny Fahasalamana USA (National Institiota fianarana ny Fahasalamana (NIH). Ny PubChem azo jerena malalaka amin'ny alalan'ny tranonkala ny mpampiasa interface tsara. An-tapitrisany ny rafitra ny kamban-teny sy ny famaritana mametraka ny tahirin-kevitra azo alaina maimaimpoana avy any amin'ny [http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch-help.html FTP]. Ny PubChem ahitana ny famaritana ny akora sy ny kely molekiola amin'ny latsaky ny 1000 ataoma ary 1000 ny fatorana. Maherin'ny 80 ny mpivarotra angona mandray anjara amin'ny tsy mitsaha-mitombo ny banky angona PubChem.<ref>{{Cite web|url=http://pubchem.ncbi.nlm.nih.gov/sources/sources.cgi|title=PubChem Source Information|work=The PubChem Project|publisher=National Center for Biotechnology Information}}</ref>

== Angona ==
Ny PubChem dia ahitana olona telo mampiditra ny fampitomboana ny tahiry an-drenivohitra. Avy ny 29 septambra, 2014:
* Ny fikambanana, 54 tapitrisa anglisy <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> (avy amin'ny 31 tapitrisa ampy / fanononana tsy ampy amin'ny volana janoary 2011), ahitana ny madio sy ny fantatra akora simika.<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|publisher=National Center for Biotechnology Information|accessdate=7 January 2011}}</ref>
* Akora, 163,5 tapitrisa anglisy<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|publisher=National Center for Biotechnology Information|accessdate=29 September 2014}}</ref> (75 tapitrisa ampy / fanononana tsy ampy amin'ny volana janoary 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|publisher=National Center for Biotechnology Information|accessdate=7 January 2011}}</ref>), dia ahitana ihany koa ny mixtures, extracts, itambaram-be sy ny tsy-tena ho zavatra.
* Biolojika fandalinana, ny asa biolojika ny vokatry ny 6059<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|publisher=National Center for Biotechnology Information|accessdate=29 September 2014}}</ref> (avy 1644 janoary 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|publisher=National Center for Biotechnology Information|accessdate=7 January 2011}}</ref>) fandaharan'asa, ny fitiliana ny avo-fahaiza-miasa mahomby ny amin'ny an-tapitrisa maromaro ny soatoavina.

== Fikarohana ==
Ny fitadiavana ny tahiry dia mety ho isan-karazany ny fananana ao anatin'izany ny rafitra simika, ny anaran'ny faritra, chemical formula, molekiolan'ny faobe, XLogP, sy ny isan'ny mpamatsy vola sy acceptor ary fatorana.

Ny PubChem ahitana ny tranonkala ny molekiolan'ny tonian-dahatsoratry ny amin'ny fanohanana NITSIKY/SMARTS sy InChI, izay mamela ny fanafarana sy ny fanondranana rehetra fitsipika endrika simika antontan-taratasy eo amin'ny fitadiavana rafitra sy ny sombintsombiny.

Isaky ny mitsidika manome vaovao momba ny malagasy, ny toetra mampiavaka azy, dia rafitra simika ao anatin'izany ny tady TSIKY sy InChI, bioactivity, sy ny rohy mankany amin'ny firafitry mifandraika amin'ny zavatra simika, ary hafa ny tahiry ao NCBI, toy ny PubMed.

Ny endriky ny fikarohana lahatsoratra saha ao amin'ny banky angona azo nitady amin'ny alalan'ny fanampiana ny sehatra anarana eo amin'ny kianja fononteny mahitsizoro ny fikarohana teny. Ny isa isan-karazany dia aseho amin'ny isa roa nisaraka ny tsinaibe. Ny fikarohana teny, ary ny anaran ' ny saha dia tsy miankina amin'ny raki-bolana malalaka/endrika. Mety ho nampiasa ny fiteny sy ny lojika mpandraharaha ARY, NA TSY. Raha tsy ampiasaina, tsy mpandraharaha dia ho heverina ho ny mpandraharaha SY ny.

Ohatra (Ny fitsipi-dimy ny Lipinski (Lipinski ny Fitsipi-Dimy):
 0:500[mw] 0:5[hbdc] 0:10[hbac] -5:5[logp]

== Tantara ==
Ny PubChem navoaka tamin'ny 2004.<ref>{{Cite web|url=https://pubchem.ncbi.nlm.nih.gov/about.html|title=About PubChem|accessdate=3 May 2014}}</ref>

== Ahiahy ny ACS ==
Ny Amerikana Simika ny Fiarahamonina (Amerikana Simika ny Fiarahamonina (ACS) niteraka ahiahy momba ny ampahibe-maso tohanan'ny banky angona PubChem satria toa mifaninana mivantana amin'ny fisiany manokana TOYizany.<ref>Kaiser J&#x20;(May 2005).&#x20;</ref> NY ACS matanjaka manana liana amin'ny foto-kevitra, noho ny zavatra Simika Abstracts Fanompoana miteraka ny lehibe isan-jaton'ny ny fidiram-bola ny orinasa.

== Banky angona-tsaha ==
{| class="" style="margin-bottom: 10px;"
| colspan="3" | <br> 
'''Αριθμοί ταυτοποίησης'''
|-
| • 
| Αριθμός ταυτοποίησης στην τρέχουσα βάση δεδομένων 
| [UID]
|-
| • 
| Αριθμός ταυτοποίησης ουσίας 
| [SID]
|-
| • 
| Αριθμός ταυτοποίησης ένωσης 
| [CID]
|-
| • 
| Αριθμός ταυτοποίησης βιοανάλυσης 
| [BAID], [AID]
|-
| colspan="3" | <br> 
'''Γενικά'''
|-
| • 
| Οποιοδήποτε πεδίο της βάσης δεδομένων 
| [ALL]
|-
| • 
| Σχόλιο 
| [CMT]
|-
| • 
| Ημερομηνία κατάθεσης 
| [DDAT], [DEPDAT]
|-
| • 
| Εξωτερικό αναγνωριστικό του καταθέτη  
| [SRID], [SRCID]
|-
| • 
| Όνομα πηγής 
| [SRC], [SRCNAM], [SRCNAME]
|-
| • 
| Ημερομηνία έκδοσης της πηγής 
| [SRD], [SRDAT], [RLSDAT]
|-
| • 
| Medical Subject Headings Όρος (MeSH) 
| [MSHT], [MESHT]
|-
| • 
| Κόμβος δένδρου MeSH 
| [MSHN], [MESHTN]
|-
| • 
| Φαρμακολογικές δράσεις MeSH 
| [PHMA], [PHARMA]
|-
| colspan="3" | <br> 
'''Ιδιότητες ουσίας'''
|-
| • 
| Συνώνυμα ουσίας 
| [SYNO]
|-
| • 
| Όνομα IUPAC 
| [UPAC], [IUPAC]
|-
| • 
| Διεθνές χημικό αναγνωριστικό (InChI) 
| [INCHI]
|-
| • 
| Μοριακή μάζα 
| [MW], [MWT], [MOLWT]
|-
| • 
| Χημικά στοιχεία 
| [ELMT], [EL]
|-
| • 
| Μη υδρογονικά άτομα 
| [HAC], [HACNT]
|-
| • 
| Αριθμός [[Miratoerana|ισοτόπων]] 
| [IAC], [IACNT]
|-
| • 
| Συνολικό τυπικό φορτίο 
| [TFC], [CHG], [CHRG]
|-
| • 
| Αριθμός χειρόμορφων ατόμων 
| [ACC], [ACCNT]
|-
| • 
| Αριθμός καθορισμένων χειρόμορφων ατόμων 
| [ACDC], [ACDCNT]
|-
| • 
| Αριθμός ακαθόριστων χειρόμορφων ατόμων 
| [ACUC], [ACUCNT]
|-
| • 
| Αριθμός δεκτών δεσμών υδρογόνου 
| [HBAC], [HBACNT]
|-
| • 
| Αριθμός δοτών δεσμών υδρογόνου 
| [HBDC], [HBDCNT]
|-
| • 
| Αριθμός ταυτομερών 
| [TC], [TCNT], [TTMC]
|-
| • 
| Αριθμός περιστρέψιμων δεσμών 
| [RBC], [RBCNT]
|-
| • 
| XLogP<ref>Cheng T&#x20;(Nov 2007).&#x20;</ref> 
| [XLGP], [LOGP]
|-
| colspan="3" | <br> 
'''Ιδιότητες ένωσης'''
|-
| • 
| Συνώνυμα ένωσης 
| [CSYN], [CSYNO]
|-
| • 
| Αριθμός συστατικών 
| [CC], [CCNT]
|-
| • 
| Αριθμός ομοιοπολικών μονάδων (μόριο) 
| [CUC], [CUCNT]
|-
| • 
| Αριθμός συνολικής βιοδραστικότητας 
| [TAC]
|}

== Jereo koa ny ==
* Simika banky angona
** Mampitaha Toxicogenomics Banky Angona
** ChEMBL
** ChemSpider
** eMolecules
** DrugBank
** Moltable
** BindingDB
** SCRIPDB
* Foibem-pirenena ho an'ny ara-pambolena Vaovao (NCBI)
* Teny iditra
* PubMed
* GenBank

== Andinin-tsoratra masina ==
{{παραπομπές}}

== Rohy ivelany ==
* [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 Hanampy]
* [http://cheminfo.informatics.indiana.edu/PubChemSR/ PubChemSR Hitady Fanampiana] {{Wayback|url=http://cheminfo.informatics.indiana.edu/PubChemSR/ |date=20071227115807 }}
* [http://depth-first.com/articles/2007/09/26/pubchem-for-newbies/ PubChem Newbies]