Interactive design of generic chemical patterns

Link:
Autor/in:
Erscheinungsjahr:
2013
Medientyp:
Text
Schlagworte:
  • Drug Discovery
  • Screening
  • Chemical space
  • Quantitative Structure-Activity Relationship
  • Pharmaceutical Preparations
  • Drug Discovery
  • Screening
  • Chemical space
  • Quantitative Structure-Activity Relationship
  • Pharmaceutical Preparations
Beschreibung:
  • 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 We take a look at pattern editing concepts of standalone chemical editors and finally present a completely new, unpublished graphical approach to pattern design, the SMARTSeditor.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

Interne Metadaten
Quelldatensatz
oai:www.edit.fis.uni-hamburg.de:publications/bb007f33-83cf-4b7a-9fb1-261ee7dce311