论文部分内容阅读
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。
The tremendous success of bioinformatics based on open source software and public databases suggests that the openness of drug discovery research is important. However, chemical informatics, which is based on a large number of organic molecular structure information, has not yet reached the desired openness. By comparing these two kinds of informatics, we can find out the openness of programming language and development mechanism, which is caused by the quantity of resources searched on search engines, the number of papers published in professional periodicals and the influencing factors. Therefore, chemical informatics should also take the path of opening up. Can we break through the barriers to information and realize more effective exploration in the broader chemical space. Find more and better lead compounds, but also recommended in related research and teaching to promote the use of open source software and dynamic programming language.