imported>InternetArchiveBot：Add 3 books for verifiability (20260417sim)) #IABot (v2.0.9.5) (GreenC bot

2026-04-17T20:10:22Z

Add 3 books for verifiability (20260417sim)) #IABot (v2.0.9.5) (GreenC bot

新页面

{{Expand English}}
{{NoteTA
|G1=Chemistry
|G2=IT
}}
[[File:Ammonium_phosphite_ChemSpider.png | thumb | right |亚磷酸铵的ChemSpider表示]]
{{Infobox Company
|company_name = {{lang|en|ChemSpider}}
|company_logo = [[File:ChemSpider_Logo.jpg]]
|foundation ={{flagicon|USA}}[[罗利 (北卡罗来纳州)|罗利]]，2007年2月
|location = [[罗利 (北卡罗来纳州)|罗利]]，[[北卡罗来纳州]]
|key_people = {{lang|en|Antony Williams}}
|industry = [[互联网]]、[[信息学]]
|parent = [[皇家化学会]]
|homepage = [http://www.chemspider.com/ www.ChemSpider.com]
}}
{{Infobox biodatabase
|title =化学蜘蛛<br/>ChemSpider
|logo =
|description = 超过1亿种化学结构、性质及相关信息
|scope =
|organism =
|center = {{flag|英国}}[[剑桥]]
|laboratory = {{Plainlist|
* [[英国皇家化学学会|皇家化学学会]]<ref>{{Cite journal | doi = 10.1038/483524a| pmid = 22460877| title = Chemistry's web of data expands| url = https://archive.org/details/sim_nature-uk_2012-03-29_483_7391/page/524| journal = Nature| volume = 483| issue = 7391| pages = 524| year = 2012| last1 = Van Noorden | first1 = R. | bibcode = 2012Natur.483..524V| doi-access = free}}</ref>
}}
| key_people =
|author =
|pmid =
|released =
|standard =
|format =
|url = {{url|http://www.chemspider.com}}
|download =
|webservice =
|sql =
|sparql =
|standalone =
|license = [[知识共享]]·[[署名權|署名]]·[[相同方式共享]]<ref>{{cite web|url=http://www.chemspider.com/blog/chemspider-adopts-creative-commons-licenses.html|title=ChemSpider Blog » Blog Archive » ChemSpider Adopts Creative Commons Licenses|website=www.chemspider.com|access-date=2014-03-21|archive-url=https://web.archive.org/web/20150402215601/http://www.chemspider.com/blog/chemspider-adopts-creative-commons-licenses.html|archive-date=2015-04-02|url-status=dead}}</ref>
|versioning =
|frequency =
|curation =
|bookmark =
|version =
}}
'''Chemspider'''（直译：'''化学蜘蛛'''）是一个可在线免费访问的[[化学数据库]]，该数据库归[[英国皇家化学学会]]所有。<ref>{{cite journal
|journal=Chemistry International
|author=Antony John Williams
|author-link=Antony John Williams
|title=ChemSpider and Its Expanding Web: Building a Structure-Centric Community for Chemists
|date=Jan–Feb 2008
|volume=30
|issue=1
|url=http://www.iupac.org/publications/ci/2008/3001/ic_chemspider.html
}}</ref><ref>{{Cite journal
| pmid = 18428094
| year = 2008
| last1 = Williams
| first1 = A. J.
| author-link = Antony John Williams
| title = Public chemical compound databases
| journal = Current Opinion in Drug Discovery & Development
| volume = 11
| issue = 3
| pages = 393–404
}}</ref><ref>{{Cite journal | doi = 10.1038/453139a| pmid = 18464701| title = Chemists spin a web of data| url = https://archive.org/details/sim_nature-uk_2008-05-08_453_7192/page/138| journal = Nature| volume = 453| issue = 7192| pages = 139| year = 2008| last1 = Brumfiel | first1 = G. | bibcode = 2008Natur.453..139B| doi-access = free}}</ref><ref>{{Cite book | doi = 10.1002/9781118026038.ch22| chapter = Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived from Public Compound Databases| title = Collaborative Computational Technologies for Biomedical Research| pages = 363–386| year = 2011| last1 = Williams | first1 = A. J. | isbn = 9781118026038}}</ref><ref>{{Cite journal | last1 = Pence | first1 = H. E. | last2 = Williams | first2 = A. | doi = 10.1021/ed100697w | title = ChemSpider: An Online Chemical Information Resource | url = https://archive.org/details/sim_journal-of-chemical-education_2010-11_87_11/page/1122 | journal = Journal of Chemical Education | volume = 87 | issue = 11 | pages = 1123 | year = 2010 | bibcode = 2010JChEd..87.1123P }}</ref>它试运行于2007年3月，并于一年后的2008年3月正式发布。 ChemSpider数据库记录了超过两千万的[[分子]]，与其他传统化学数据库不同的地方在于，它通过WiChempedia（维基化学百科）收录[[维基百科]]中的化合物记录。ChemSpider于2009年5月被[[英国]][[皇家化学会]]收购。<ref>{{cite news|url=http://www.rsc.org/AboutUs/News/PressReleases/2009/ChemSpider.asp|title=RSC acquires ChemSpider|date=11 May 2009|publisher=Royal Society of Chemistry|accessdate=2009-05-11|archive-date=2014-12-22|archive-url=https://web.archive.org/web/20141222153819/http://www.rsc.org/AboutUs/News/PressReleases/2009/ChemSpider.asp|dead-url=no}}</ref>它包含来自270多个数据源的超过1亿个[[分子]]的信息，每个分子都有一个名为ChemSpider Identifier的[[唯一标识符]]。

== 数据来源 ==
ChemSpider数据库以公开的网络数据库为主要数据来源。以下为ChemSpider的主要数据来源列表：<ref>{{cite web|url=https://www.chemspider.com/DataSources.aspx|website=[[Chemspider]]|title=Data Sources|access-date=May 16, 2019}}</ref>
{{Col-begin}}
{{Col-2}}
*{{le|EPA DSSTox}}

*[[美国食品药品监督管理局]]（FDA）

*人类代谢组数据库（Human Metabolome Database）

*《杂环化学》（Journal of Heterocyclic Chemistry）

*[[KEGG|京都基因与基因组百科全书]]

*{{le|KUMGM}}

*{{le|LeadScope}}

*{{le|LipidMAPS}}

*{{le|Marinlit}}

*[[MDPI]]

*{{le|MICAD}}

*{{le|MLSMR}}

*[[MMDB]]

*{{le|MOLI}}

*{{le|MTDP}}

*{{le|Nanogen}}

*《自然化学生物学》（Nature Chemical Biology）

*{{le|NCGC}}

*[[NIAID]]

*{{le|NIH/NLM}}

*{{le|NINDS Approved Drug Screening Program}}

*[[NIST]]

*{{le|NIST Chemistry WebBook}}

*{{le|NMMLSC}}

*{{le|NMRShiftDB}}
*{{le|PANACHE}}
{{Col-break}}

*{{le|PCMD}}

*{{le|PDSP}}

*[[Peptides]]

*{{le|Prous Science Drugs of the Future}}

*[[QSAR]]

*{{le|R&D Chemicals}}

*{{le|San Diego Center for Chemical Genomics}}

*{{le|SGCOxCompounds}}

*{{le|SGCStoCompounds}}

*{{le|SMID}}

*{{le|Specs}}

*{{le|Structural Genomics Consortium}}

*{{le|SureChem}}

*{{le|Synthon-Lab}}
*{{le|Thomson Pharma}}

*{{le|Total TOSLab Building-Blocks}}

*{{le|UM-BBD}}

*{{le|UPCMLD}}

*{{le|UsefulChem}}

*[[Web of Science]]

*{{le|xPharm}}

*{{le|ZINC}}
{{Col-end}}
此外，ChemSpider还允许注册用户添加化合物结构和光谱数据。

==註釋==
{{reflist}}

== 参考资料 ==
{{refbegin}}
*《[[化学化工新闻]]》, '''85'''(24), June 11, 2007.
*{{cite journal|journal=Chemical & Engineering News| volume=85| issue=24| date=June 11, 2007}}
*{{cite journal
|journal=Chemistry International
|author=[[Antony John Williams]]
|title=ChemSpider and Its Expanding Web: Building a Structure-Centric Community for Chemists
|date=Jan–Feb 2008
|volume=30
|issue=1
|url=http://www.iupac.org/publications/ci/2008/3001/ic_chemspider.html
|access-date=2010-05-09
|archive-date=2011-05-25
|archive-url=https://web.archive.org/web/20110525014240/http://www.iupac.org/publications/ci/2008/3001/ic_chemspider.html
|dead-url=yes
}}
*{{cite journal
|journal=Current Opinion in Drug Discovery & Development
|author=[[Antony John Williams]]
|title=Public Chemical Compound Databases
|date=Apr–May 2008
|volume=11
|issue=3
}}
*{{cite journal
|journal=Current Drug Metabolism
|author=[[Sean Ekins]], Manisha Iyer, Matthew D. Krasowski and Evan D. Kharasch
|title=Molecular Characterization of CYP2B6 Substrates
|year=2008
|pages=363–73
|issue=5
|volume=9
|pmid=18537573
|pmc=2426921
}}
*{{cite journal
|journal=Nature
|author=Geoff Brumfiel
|title=Chemists Spin a Web of Data
|date=2008-05-07
|volume=453
|issue=7192
|doi=10.1038/453139a
|pages=139
|pmid=18464701
|bibcode = 2008Natur.453..139B }}
* E. Curry, A. Freitas, and S. O’Riáin, [http://books.google.co.uk/books?id=DsMrnk9-4NsC&lpg=PA25&ots=ngw9sbXIiH&lr&pg=PA25#v=onepage&q&f=false, “The Role of Community-Driven Data Curation for Enterprises,”]{{Wayback|url=http://books.google.co.uk/books?id=DsMrnk9-4NsC&lpg=PA25&ots=ngw9sbXIiH&lr&pg=PA25#v=onepage&q&f=false, |date=20140104180807 }} in Linking Enterprise Data, D. Wood, Ed. Boston, MA: Springer US, 2010, pp. 25–47.
{{refend}}

== 外部链接 ==
* [http://www.chemspider.com Chemspider官网]{{Wayback|url=http://www.chemspider.com/ |date=20110213122115 }}
* [https://web.archive.org/web/20090824063157/http://moltable.ncl.res.in/ Moltable]
* [http://www.slideshare.net/AntonyWilliams/slideshows ChemSpider演示]{{Wayback|url=http://www.slideshare.net/AntonyWilliams/slideshows |date=20090414164456 }}



{{DEFAULTSORT:Chemspider}}
[[Category:2007年建立的网站]]
[[Category:化学数据库]]
[[Category:生物學資料庫]]
[[Category:使用维基百科的网站]]
[[Category:英国皇家化学学会]]

ChemSpider - 版本历史

imported>InternetArchiveBot：​Add 3 books for verifiability (20260417sim)) #IABot (v2.0.9.5) (GreenC bot

imported>InternetArchiveBot：Add 3 books for verifiability (20260417sim)) #IABot (v2.0.9.5) (GreenC bot