Project title:
Data mining techniques for predictive ADME model building

The aim of this project is applying data mining techniques, such as decision tree, random forest and support vector machine (SVM) to the chemistry domain. Improvements to the models produced can be in terms of predictive accuracy and interpretability. Currently we have been looking at using various classifiers in QSAR and plan to scale this up to HTS and virtual screening.

• Cheminformatics
• Machine learning techniques
• QSAR
• High Performance Computing
  our facilities: http://www.nottingham.ac.uk/hpc
• Grid Computing using Condor