Cheminformatics

Since 1987, Daylight researchers and users have been leaders in the development of cheminformatics. Our archive of user group presentations, white papers, tutorials, and other materials is a record of the many contributions and advancements Daylight has made in this field.
  • Chemical Information Systems - General introduction to and history of cheminformatics

  • SMILESTM - General introduction to the language

  • Daylight Theory Manual (pdf) - Covering general information on representing molecules and an in-depth discussion of SMILESTM, SMARTS®, SMIRKS®, fingerprints, THOR database concepts, and Merlin analysis

  • Tutorials - Series of tutorials designed as an introduction to all three chemical languages, database exploration and Daylight toolkit programming

  • Case Studies - Descriptions of DayCart® integration and use

  • Meeting Archives - Presentations and notes from MUG, EuroMUG, and Summer School meetings