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QSAR Training

This course is available on site as a 1 day class.

On completion of the workshop the user will have covered:

  • How to create a training set
  • How to create and use Materials Studio study table documents
  • How to judge the quality of the used data
  • How to calculate descriptors
  • How to build models
  • How to validate a model
  • How to predict a model
  • Genetic Function Approximation

Sample Agenda

  • What is QSAR?
    • QSAR Strategy - Training Set/Descriptors
  • BREAK (10 minutes)
  • QSAR Strategy - Build Models/Model Validation and Prediction
  • BREAK (10 minutes)
  • Genetic Function Algorithm (GFA)
    • Formulations QSAR/Tips

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