CLUSTERING OF CHEMICAL STRUCTURES ON THE BASIS OF 2-DIMENSIONAL SIMILARITY MEASURES
CLUSTERING OF CHEMICAL STRUCTURES ON THE BASIS OF 2-DIMENSIONAL SIMILARITY MEASURES
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DOI：
10.1021/ci00010a010
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发表时间：
1992-11-01
期刊：
影响因子：
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通讯作者：
DOWNS, GM
中科院分区：
文献类型：
--
作者：
BARNARD, JM;DOWNS, GM
综述了可用于对化学结构文件进行分类的不同方法及其在最近发表的工作和商业软件中的应用。讨论了用户自定义参数对Jarvis-Patrick算法运行的影响，并简要介绍了使用该算法的经验。
The different methods which can be used to cluster files of chemical structures and their application in recently published work and in commercially-available software are reviewed. The effects of user-defined parameters on the operation of the Jarvis-Patrick algorithm are discussed, and experience in its use is briefly described.