Fundamentals of Molecular Similarity

Chapter 1 Prediction of boiling points of organic compounds from molecular descriptors by using backpropagation neural network

Chapter 2 Some Relationships between Molecular Energy-Topology and Symmetry

Chapter 3 Database Organization and Similarity Searching with E-State Indices

Chapter 4 Similarity Searching In Chemical Databases Using Molecular Fields And Data Fusion

Chapter 5 Topological Pharmacophore Description of Chemical Structures using MAB-Force-Field-Derived Data and Corresponding Similarity Measures

Chapter 6 Dissimilarity Measures: Introducing a Novel Methodology

Chapter 7 Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation

Chapter 8 Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem

Chapter 9 Quantum Chemical Reactivity: Beyond the Study of Small Molecules

Chapter 10 Partitioning of Free Energies of Solvation into Fragment Contributions: Applications in Drug Design

Chapter 11 Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis

Chapter 12 Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity

Chapter 13 Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies