第三章 物质检索 ......................... 29
3.1 物质检索概览及物质结果界面 .............................................................................................................. 29 3.1.1 物质检索(Explore Substances)........................................................................................... 29 3.1.2 物质检索答案集的界面 .............................................................................................................. 29 3.2 物质标识符检索(Explore Substances by Substance Identifier) ........................................... 31 3.2.1 概览 .............................................................................................................................................. 32 3.2.2 检索举例 ...................................................................................................................................... 32 3.2.3 物质详情 ...................................................................................................................................... 33 3.2.4 物质标准菜单 .............................................................................................................................. 36 3.3 结构编辑器(Structure Editor)....................................................................................................... 37 3.3.1 启动结构编辑器的方法 .............................................................................................................. 37 3.3.2 结构编辑器的构成 ...................................................................................................................... 39 3.4 结构检索 .................................................................................................................................................. 63 3.4.1 概览 .............................................................................................................................................. 63 3.4.2 精确结构检索(Exact research)............................................................................................... 63 3.4.3 亚结构检索(Substructure Search)..................................................................................... 70 3.4.4 相似结构检索 .............................................................................................................................. 89 3.5 Markush 检索 .......................................................................................................................................... 96 3.5.1 概览 .............................................................................................................................................. 96 3.5.2 检索方法举例 .............................................................................................................................. 97 3.6 分子式检索(Molecular Formula)..................................................................................................... 98 3.6.1 分子式输入规则: ...................................................................................................................... 98 3.6.2 分子式检索举例 .......................................................................................................................... 99