NAVIGATOR - TOOLS FOR INFORMAL STRUCTURE-ACTIVITY RELATIONSHIP DISCOVERY

被引:2
作者
CHAPMAN, D
HARRIS, N
PARK, J
CRITCHLOW, RE
机构
[1] Arris Pharmaceutical Corporation, South San Francisco
来源
JOURNAL OF MOLECULAR GRAPHICS | 1995年 / 13卷 / 04期
关键词
COMPASS; DRUG DISCOVERY; GRAPHICAL USER INTERFACE; MAXIMAL COMMON SUBGRAPH; MOLECULAR DATABASE; MOLECULAR SIMILARITY; NAVIGATOR; STRUCTURE-ACTIVITY; RELATIONSHIPS;
D O I
10.1016/0263-7855(95)00034-4
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Navigator is a molecular database visualization sl stem, designed to support exploratory data analysis and informal structure-activity, relationship studies. In addition to the operations commonly found in chemical database systems, it provides new tools that facilitate substituent analysis and help elucidate the relationships among similar molecules and between related assays. Navigator's capabilities include two ways of displaying the relationships between analogs, mouse-sensitive charts of sets of molecules, mouse-sensitive plots of assay relationships, and access to a system for three-dimensional quantitative structure-activity relationship discovery. Navigator's mouse-based user interface provides a one-object/one-window paradigm that makes data manipulation easy even for inexperienced users. Navigator runs on Silicon Graphics workstations.
引用
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页码:242 / 249
页数:8
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