Program :
The goal of this course is to apply the various unsupervised and supervised techniques seen in class to develop a QSAR model to predict the activity of small molecules for a given target. These models will then be used to develop chemical library filters from the supervised methods. Application of these filters to the search for new inhibitors of a given target This project will be carried out with the statistical software R.


Targeted skills :
Implementation of a protocol to identify the best QSAR model to predict the activity of a molecule.
Development of chemical library filtering as part of a drug design project. R script development for supervised model development and optimization.