Science Events in Boston
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Using Machine Learning and Other Methods to Build Predictive QSAR Models
December 10, 2019 - 11:00 am - 1:00 pm
Overview
This hands-on workshop will focus on using Forge™, Cresset’s methods for developing 3D and 2D-QSAR models. We will show 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.
Hands-on: If you wish to follow along in this hands-on workshop then please bring a laptop (a download link to Forge will be provided before the event if needed).
Who should attend: Computational chemists. Some familiarity with alignment in Forge an advantage.
