Methods to Improve the Reliability, Validity and Interpretability of QSAR Models.
Ph.D Thesis, Pennsylvania State University, 2005
Full document
Chapter 1 Introduction
Chapter 2 Statistical & Optimization Techniques
Chapter 3 QSAR Methodology and ADAPT
Chapter 4 Generation of QSAR Sets Using a Self-Organizing Map
Chapter 5 Determining the Validity of a QSAR Model: A Classification Approach
Chapter 6 The Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues
Chapter 7 The Development of Linear, Ensemble and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors
Chapter 8 Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance
Chapter 9 Interpreting Computational Neural Network QSAR Models: A Detailed Interpretation of the Weights and Biases
Chapter 10 Summary