Day 1 Lab/Lecture Outline

Languages

• SMILES/SMARTS (SMILES/SMARTS Lab)
• CHUCKLES/CHORTLES/CHARTS

TDT Format and Database Applications

• Thor Data Trees (TDTs)
• Thorfilters and Sthorman(Thorfilters Sthorman Lab Exercise)
• Print Package
• Fingerprints
• Similarity Metrics
• xvthor(xvthor Lab Exercise)
• xvmerlin(xvmerlin Lab Exercise)

Descriptors

• PCModels/PCFilters(PCModels/PCFilters Lab Exercise)
• Cluster Package(Cluster Package Lab Exercise)
• Rubicon(Rubicon Lab Exercise)

Web Applications

• MCL
• Daycgi(Daycgi/MCL/JavaGrins Lab Exercise)
• Hyperthor, Wizard, Mirth
• JavaGrins