Chemical fragment generation and clustering software

被引:84
作者
Barnard, JM
Downs, GM
机构
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1997年 / 37卷 / 01期
关键词
D O I
10.1021/ci960090k
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Barnard Chemical Information Ltd.'s software products for generation of fragment-dictionary-based chemical structure fingerprints and for hierarchical and nonhierarchical clustering of large files of structures are described.
引用
收藏
页码:141 / 142
页数:2
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