Events

Using machine learning and other methods to build predictive QSAR models

December 10th

Prompt start time Descripton
11:00am

Registration and refreshments

11:10am

Using machine learning and other methods to build predictive QSAR models

This hands-on workshop will focus on using Forge™, Cresset’s method for developing 3D and 2D-QSAR models. You will learn how to: Easily apply SVM, RVM, Random Forest, and kNN methods to build multiple models and choose between them; Interpret 3D-QSAR models to explain observed SAR; Use the models to predict activity for new compound design; Use the visual feedback to improve compound design.

12:30pm Lunch
13:00pm Close

Who should attend and why

Who should attend

  • Computational chemists

Why attend

  • Learn essential skills to enhance your comp chem toolbox
  • Facilitate increased engagement with your computational chemistry team
  • All attendees will receive a 60 DAY FREE TRIAL of Cresset desktop solutions

Register


December 10th workshop
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Dec 10 • Building predictive QSAR models using ML*
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Location

Bogota Room, 3rd Floor, CIC, 1 Broadway, Cambridge MA