Center for Bioinformatics, University of Hamburg, Bundesstraße 43, 20146 Hamburg, Germany.
Drug Discov Today. 2013 Jul;18(13-14):651-8. doi: 10.1016/j.drudis.2013.02.001. Epub 2013 Feb 9.
Every medicinal chemist has to create chemical patterns occasionally for querying databases, applying filters or describing functional groups. However, the representations of chemical patterns have been so far limited to languages with highly complex syntax, handicapping the application of patterns. Graphic pattern editors similar to chemical editors can facilitate the work with patterns. In this article, we review the interfaces of frequently used web search engines for chemical patterns. We take a look at pattern editing concepts of standalone chemical editors and finally present a completely new, unpublished graphical approach to pattern design, the SMARTSeditor.
每位药物化学家都必须偶尔创建化学模式，以便查询数据库、应用筛选器或描述官能团。然而，迄今为止，化学模式的表示形式仅限于语法非常复杂的语言，这限制了模式的应用。类似于化学编辑器的图形模式编辑器可以简化模式的使用。在本文中，我们回顾了常用于化学模式的网络搜索引擎的界面。我们研究了独立化学编辑器的模式编辑概念，最后提出了一种全新的、未发表的图形模式设计方法 SMARTSeditor。
