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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