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Contents
1. The Intuitive Concept of Molecular Shape
2. The Quantum Chemical Concept of Molecular Shape
3. Applied Topology: The Mathematics of the Essential
4. Molecular Bodies, Molecular Surfaces, and Their Topological Representations
5. Topological Shape Groups, Shape Codes, Shape Graphs, Shape Matrices, and Shape Globes
6. Molecular Similarity Measures and Molecular Complementary Measures; The Quantification of Molecular Similarity and Complementarity
7. QShAR (Quantitative Shape-activity Relations) in Drug Design and Molecular Engineering
8. Special Topics: Symmetry and Approximate Symmetry, Symmetry Deficiency Measures, Syntopy, and Symmorphy
1. The Intuitive Concept of Molecular Shape
2. The Quantum Chemical Concept of Molecular Shape
3. Applied Topology: The Mathematics of the Essential
4. Molecular Bodies, Molecular Surfaces, and Their Topological Representations
5. Topological Shape Groups, Shape Codes, Shape Graphs, Shape Matrices, and Shape Globes
6. Molecular Similarity Measures and Molecular Complementary Measures; The Quantification of Molecular Similarity and Complementarity
7. QShAR (Quantitative Shape-activity Relations) in Drug Design and Molecular Engineering
8. Special Topics: Symmetry and Approximate Symmetry, Symmetry Deficiency Measures, Syntopy, and Symmorphy