Languages and Applications
Day 1 Lab/Lecture Outline

Introduction

• Course outline- what you're in for!
• Daylight what's it all about?

Languages

• A quick history of SMILES
• The SMILES Home Page
• SMILES Lab
• SMARTS
• SMARTS Examples
• SMARTS Manual
• SMARTS Lab #1
• SMARTS Lab #2
• Reaction SMILES and SMIRKS - Reaction processing
• Fingerprints
• Thor Data Trees (TDTs)

Database Applications

• xvthor
• xvthor Lab Exercise
• xvmerlin
• xvmerlin Lab Exercise
• MCL
• Thorfilters
• Sthorman
• Thorfilters/Sthorman Lab Exercise
• Print Package

Descriptors

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

Web Applications

• JavaGrins
• DayCGI(Hyperthor, Wizard, Mirth, etc.)
• DayCGI/MCL/JavaGrins Lab Exercise

Documentation

• Reference Sheet