LeadScope: Software for exploring large sets of screening data

被引:131
作者
Roberts, G [1 ]
Myatt, GJ [1 ]
Johnson, WP [1 ]
Cross, KP [1 ]
Blower, PE [1 ]
机构
[1] LeadScope Inc, Columbus, OH 43212 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2000年 / 40卷 / 06期
关键词
D O I
10.1021/ci0000631
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Modern approaches to drug discovery have dramatically increased the speed and quantity of compounds that are made and tested for potential potency. The task of collecting, organizing, and assimilating this information is a major bottleneck in the discovery of new drugs. We have developed LeadScope a novel, interactive computer program for visualizing, browsing, and interpreting chemical and biological screening data that can assist pharmaceutical. scientists in finding promising drug candidates. The software organizes the chemical data by structural features familiar to medicinal chemists. Graphs are used to summarize the data, and structural classes are highlighted that are statistically correlated with biological activity.
引用
收藏
页码:1302 / 1314
页数:13
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