Topological Indices and Related Descriptors in QSAR and QSPR

Abstract

1. No-Free-Lunch Molecular Descriptor in QSAR and QSPAR 2. The Graph Description of Chemical Structures 3. Matrices and Structural Descriptors Computed from Molecular Graph Distances 4. Molecular Connectivity Chi Indices for Database Analysis and Structure-Property Modeling 5. Novel Strategies in the Search of Topological Indices 6. The Electrotopological State: Structure Modeling for QSAR and Database Analysis 7. Autocorrelation Descriptors for Modeling (Eco)Toxicological Endpoints 8. A Hierarchical Approach to the Development of QSAR Models Using Topological, Geometrical and Quantum, Chemical Parameters 9. Algorithms and Software for the Computation of Topological Indices and Structure-Property Models