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化学信息学与药物发现研究的开放性
引用本文:乔园园,孙可,刘冲.化学信息学与药物发现研究的开放性[J].计算机与应用化学,2006,23(12):1283-1286.
作者姓名:乔园园  孙可  刘冲
作者单位:南开大学化学院中心实验室,天津,300071
摘    要:建立在开源软件和公共数据库基础之上的生物信息学所获得的巨大成功,说明药物发现研究的开放性非常重要。然而以大量有机分子结构信息为主要研究对象的化学信息学,还没有达到所期望的开放性。通过对照这两类信息学研究在搜索引擎上查询的资源数量、在专业期刊发表论文的数量及影响因子等,发现编程语言和开发机制的开放性,是造成如此差别的重要原因。因此,化学信息学也应该走开放的道路.才能突破信息障碍,在更广阔的化学空间实现更有效的探索.找到更多、更好先导化合物,也建议在相关科研与教学中大力推广使用开源软件和动态编程语言。

关 键 词:化学信息学  生物信息学  药物发现  开源软件  动态编程语言
文章编号:1001-4160(2006)12-1283-1286
收稿时间:2005-10-21
修稿时间:2005-10-212006-02-28

Chemoinformatics and the openness of drug discovery research
Qiao Yuanyuan,Sun Ke,Liu Chong.Chemoinformatics and the openness of drug discovery research[J].Computers and Applied Chemistry,2006,23(12):1283-1286.
Authors:Qiao Yuanyuan  Sun Ke  Liu Chong
Affiliation:Central Laboratory, College of Chemistry, Nankai University, Tianjin, 300071, China
Abstract:Based on open source software and public databases, bioinformatics gained great success that emphasizes the importance of openness for drug discovery research. However, the openness of chemoinformatics that concentrates on the structural information from large amount of organic compounds is still far beyond the expected. By comparing the feedbacks from search engines, the science publications with their impact factors, it is found obviously the reason lies in openness of the programming languages and the developing mechanism. Therefore, chemoinformatics should follow the same way as bioinformatics to open the isolated information world and to explore better leads more effectively in a larger chemical space. As well, open source software and dynamic programming languages should be applied more widely in research and education.
Keywords:chemoinformatics  bioinformatics  drug discovery  open source software  dynamic programming language
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