Table of Contents

Front Matter.
Current Modeling Methods Used in QSAR/QSPR / Liew Chin Yee, Yap Chun Wei.
Developing Best Practices for Descriptor-Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations / Michael Krein, Tao-Wei Huang, Lisa Morkowchuk, Dimitris K Agrafiotis, Curt M Breneman.
Mold Molecular Descriptors for QSAR / Huixiao Hong, Svetoslav Slavov, Weigong Ge, Feng Qian, Zhenqiang Su, Hong Fang, Yiyu Cheng, Roger Perkins, Leming Shi, Weida Tong.
Multivariate Analysis of Molecular Descriptors / Viviana Consonni, Roberto Todeschini.
Partial-Order Ranking and Linear Modeling: Their Use in Predictive QSAR/QSPR Studies / Andrew G Mercader, Eduardo A Castro.
Graph-Theoretical Descriptors for Branched Polymers / Koh-Hei Nitta.
Structural-Similarity-Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases / Irene Luque Ruiz, Gonzalo Cerruela Garcia, Miguel Angel G̤mez-Nieto.
Statistical Methods for Predicting Compound Recovery Rates for Ligand-Based Virtual Screening and Assessing the Probability of Activity / Martin Vogt, Jurgen Bajorath.
Molecular Descriptors and the Electronic Structure / B̲gel Horst.
New Types of Descriptors and Models in QSAR/QSPR / Christian Kramer, Timothy Clark.
Consensus Models of Activity Landscapes / Još L Medina-Franco, Austin B Yongye, Fabian L̤pez-Vallejo.
Reverse Engineering Chemical Reaction Networks from Time Series Data / Dominic P Searson, Mark J Willis, Allen Wright.
Reduction of Dimensionality, Order, and Classification in Spaces of Theoretical Descriptions of Molecules: An Approach Based on Metrics, Pattern Recognition Techniques, and Graph Theoretic Considerations / George Maroulis.
The Analysis of Organic Reaction Pathways by Brownian Processing / Daniel J Graham.
Generation of Chemical Transformations: Reaction Pathways Prediction and Synthesis Design / Grazna Nowak, Grzegorz Fic.