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化学进展 2007, Vol. 19 Issue (04): 624-632 前一篇   

• 综述与评论 •

化学信息学与生物信息学开放性比较

乔园园*;鹿涛;车云霞   

  1. 南开大学化学院　天津 300071
  • 收稿日期:2006-05-30 修回日期:2006-07-15 出版日期:2007-04-24 发布日期:2007-04-24
  • 通讯作者: 乔园园
下载PDF ( 2467 ) 引用
导出 被引次数 ( 9 | 2 )

Comparisons of Openness between Chemoinformatics and Bioinformatics

Qiao Yuanyuan*;Lu Tao;Che Yunxia   

  1. College of Chemistry, Nankai University, Tianjin, 300071, China
  • Received:2006-05-30 Revised:2006-07-15 Online:2007-04-24 Published:2007-04-24
通过对化学信息学与生物信息学在公共资源、数据文件格式、软件编程语言、科学文献与教材等诸方面的比较与分析，指出生物信息学的成功因素在于其开放性；与之相比，虽然高等学校、研究所等教育科研领域和商业公司（特别是药物研发公司）都发布了不少化学信息学开源或自由软件以及一些开放数据，但化学信息学仍然由于各种原因使得开放性不足。有鉴于此，国内建立了化学化工资源导航系统，启动了《计算化学e-science研究以及示范应用》等国家自然科学基金重大项目。在教育、教学方面也应继续改革，使化学信息学能真正适应和促进当前药物发现研究。
关键词： 化学信息学, 生物信息学, 开放性, 药物发现
By the comparisons between chemoinformatics and bioinformatics, on such aspects as public resources, data formats, programming language, literatures and textbooks, it is clear that, openness is the success for bioinformatics, but it is the shortness for chemoinformatics though launched earlier. Besides a number of open sources or free applications and open databases for chemoinformatics from academic and industry, there is still a huge gap unfilled. In addition, the reformation in teaching system should be continued in order to catch up with the rapid paces of drug discovery researches.
Key words: chemoinformatics, bioinformatics, openness, drug discovery

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