The Royal Society of Chemistry and the delivery of chemistry data repositories for the community

被引:0
作者
Antony Williams
Valery Tkachenko
机构
[1] Royal Society of Chemistry,
来源
Journal of Computer-Aided Molecular Design | 2014年 / 28卷
关键词
Data repository; ChemSpider; Crowdsourcing; InChI; NoSQL;
D O I
暂无
中图分类号
学科分类号
摘要
Since 2009 the Royal Society of Chemistry (RSC) has been delivering access to chemistry data and cheminformatics tools via the ChemSpider database and has garnered a significant community following in terms of usage and contribution to the platform. ChemSpider has focused only on those chemical entities that can be represented as molecular connection tables or, to be more specific, the ability to generate an InChI from the input structure. As a structure centric hub ChemSpider is built around the molecular structure with other data and links being associated with this structure. As a result the platform has been limited in terms of the types of data that can be managed, and the flexibility of its searches, and it is constrained by the data model. New technologies and approaches, specifically taking into account a shift from relational to NoSQL databases, and the growing importance of the semantic web, has motivated RSC to rearchitect and create a more generic data repository utilizing these new technologies. This article will provide an overview of our activities in delivering data sharing platforms for the chemistry community including the development of the new data repository expanding into more extensive domains of chemistry data.
引用
收藏
页码:1023 / 1030
页数:7
相关论文
共 18 条
[1]  
Pence H(2010)undefined J Chem Educ 87 1123-undefined
[2]  
Williams AJ(2009)undefined J Cheminform 1 9-undefined
[3]  
Bradley JC(2012)undefined Drug Discov Today 17 1188-undefined
[4]  
Lancashire RJ(2008)undefined Drug Discov Today 13 371-undefined
[5]  
Lang AS(undefined)undefined undefined undefined undefined-undefined
[6]  
Williams AJ(undefined)undefined undefined undefined undefined-undefined
[7]  
Williams AJ(undefined)undefined undefined undefined undefined-undefined
[8]  
Harland L(undefined)undefined undefined undefined undefined-undefined
[9]  
Groth P(undefined)undefined undefined undefined undefined-undefined
[10]  
Pettifer S(undefined)undefined undefined undefined undefined-undefined