ChemSpider

História
Fundação	de 2007
Tipo	banco de dados químicos; banco de dados biológicos; repositório de dados
Sede social	Raleigh
Fundador	Antony John Williams (en)
Proprietário	Royal Society of Chemistry
Website	(en) www.chemspider.com

ChemSpider é uma base de dados de substâncias químicas. Foi lançado em março de 2007, sendo propriedade da Royal Society of Chemistry.^[1]^[2]^[3]^[4]^[5]^[6]^[7]^[8]^[9]^[10]

Banco de dados

O banco de dados possui mais de 20 milhões de moléculas a partir das seguintes fontes:

A-L: EPA DSSTox, FDA, Human Metabolome Database, Journal of Heterocyclic Chemistry, KEGG, KUMGM, LeadScope, LipidMAPS
M-N: Marinlit, MDPI, MICAD, MLSMR, MMDB, MOLI, MTDP, Nanogen, Nature Chemical Biology, NCGC, NIAID, NIH/NLM, NINDS Approved Drug Screening Program, NIST, NIST Chemistry WebBook, NMMLSC, NMRShiftDB
P-S: PANACHE, PCMD, PDSP, Peptides, Prous Science Drugs of the Future, QSAR, R&D Chemicals, San Diego Center for Chemical Genomics, SGCOxCompounds, SGCStoCompounds, SMID, Specs, Structural Genomics Consortium, SureChem, Synthon-Lab
T-Z: Thomson Pharma, Total TOSLab Building-Blocks, UM-BBD, UPCMLD, UsefulChem, Web of Science, xPharm, ZINC

Referências

↑ Chemical & Engineering News. 85 (24). 11 de junho de 2007
↑ Antony John Williams (janeiro–fevereiro de 2008). «ChemSpider and Its Expanding Web: Building a Structure-Centric Community for Chemists». Chemistry International. 30 (1)
↑ PMID 18428094 (18428094&dopt=Abstract PubMed)
↑ PMID 18537573 (PubMed)
↑ Brumfiel, Geoff (7 de maio de 2008). «Chemists spin a web of data». Nature News (em inglês). 453 (7192): 139-139. doi:10.1038/453139a
↑ E. Curry, A. Freitas, and S. O’Riáin, “The Role of Community-Driven Data Curation for Enterprises,” in Linking Enterprise Data, D. Wood, Ed. Boston, MA: Springer US, 2010, pp. 25–47.
↑ Identification of Nontargeted Species Using Accurate Mass/Mass Spectrometry Data and ChemSpider
↑ Williams, Antony J. (1 de janeiro de 2011). Sean, ed. Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived From Public Compound Databases. [S.l.]: John Wiley & Sons, Inc. p. 363-386. ISBN 9781118026038. doi:10.1002/9781118026038.ch22
↑ Pence, Harry E.; Antony (1 de novembro de 2010). «ChemSpider: An Online Chemical Information Resource». Journal of Chemical Education. 87 (11): 1123-1124. ISSN 0021-9584. doi:10.1021/ed100697w
↑ Little, James L.; Antony J. (2 de novembro de 2011). «Identification of "Known Unknowns" Utilizing Accurate Mass Data and ChemSpider». Journal of The American Society for Mass Spectrometry (em inglês). 23 (1): 179-185. ISSN 1044-0305. doi:10.1007/s13361-011-0265-y

Ligações externas

Chemspider «Página oficial» Verifique valor |url= (ajuda)

[1] Chemical & Engineering News. 85 (24). 11 de junho de 2007

[2] Antony John Williams (janeiro–fevereiro de 2008). «ChemSpider and Its Expanding Web: Building a Structure-Centric Community for Chemists». Chemistry International. 30 (1)

[3] PMID 18428094 (18428094&dopt=Abstract PubMed)

[4] PMID 18537573 (PubMed)

[5] Brumfiel, Geoff (7 de maio de 2008). «Chemists spin a web of data». Nature News (em inglês). 453 (7192): 139-139. doi:10.1038/453139a

[6] E. Curry, A. Freitas, and S. O’Riáin, “The Role of Community-Driven Data Curation for Enterprises,” in Linking Enterprise Data, D. Wood, Ed. Boston, MA: Springer US, 2010, pp. 25–47.

[7] Identification of Nontargeted Species Using Accurate Mass/Mass Spectrometry Data and ChemSpider

[8] Williams, Antony J. (1 de janeiro de 2011). Sean, ed. Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived From Public Compound Databases. [S.l.]: John Wiley & Sons, Inc. p. 363-386. ISBN 9781118026038. doi:10.1002/9781118026038.ch22

[9] Pence, Harry E.; Antony (1 de novembro de 2010). «ChemSpider: An Online Chemical Information Resource». Journal of Chemical Education. 87 (11): 1123-1124. ISSN 0021-9584. doi:10.1021/ed100697w

[10] Little, James L.; Antony J. (2 de novembro de 2011). «Identification of "Known Unknowns" Utilizing Accurate Mass Data and ChemSpider». Journal of The American Society for Mass Spectrometry (em inglês). 23 (1): 179-185. ISSN 1044-0305. doi:10.1007/s13361-011-0265-y

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