Registration and refreshments

Using machine learning and other methods to build predictive QSAR models

This hands-on workshop will focus on using Forge™, Cresset’s solution 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.