title: Interactive design of generic chemical patterns.
abstract: 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 We take a look at pattern editing concepts of standalone chemical editors and finally present a completely new, unpublished graphical approach to pattern design, the SMARTSeditor.
authors: Center for Bioinformatics, University of Hamburg, Bundesstraße 43, 20146 Hamburg, Germany.
authors: Karen T
authors: KT
authors: Schomburg
authors: Lars
authors: L
authors: Wetzer
authors: Matthias
authors: M
authors: Rarey
mesh_terms: D017076:Computer-Aided Design; D057225:Data Mining; D062126:Databases, Chemical; D015195:Drug Design; D015394:Molecular Structure; D010363:Pattern Recognition, Automated; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D010600:Pharmacology; D012984:Software; D013329:Structure-Activity Relationship; D057188:Workflow
chemical_list: D004364:Pharmaceutical Preparations