The course will be divided into lecture and lab time.
Participants will be offered hands-on practice to
reinforce each lesson. There will also be opportunities
for experimentation and study based on participants'
specific needs and interests. Topics covered will include:
SMILES, SMARTS and SMIRKS Languages. Grammar,
composition and interpretation.
Beginning to Intermediate Toolkit Programming.
Toolkit theory, key functions, examples, and
practice (C language).
Fingerprints, Similarity and Clustering. Theory,
usage, tools and techniques.
Documentation & Contributed Code Tips
Getting the most out of your installation. Key
documentation, installation, and contrib tips.
Theory, data models (e.g. TDT structure, Merlin Pools),
normalizations and usage.
Theory, data model, programming, and usage.
Your Areas of Interest
Time has been reserved to cover areas of special
interest to students . Please identify your interests
when registering. Guidance will be given to participants
as to essential topics for their pathway.