附註:Includes bibliographical references and index.
Preliminaries; Contents; 1. From Chemical Graphs to 3D Molecular Modeling; 2. Descriptors of Molecular Shape in 3D; 3. 3D Molecular Design: Searching for Active Conformers in QSAR; 4. Use of Graph-Theoretic and Geometrical Molecular Descriptors in Structure-Activity Relationships; 5. Recognition of Membrane Protein Structure from Amino Acid Sequence; 6. On Characterization of 3D Molecular Structure; 7. Chemical Graph Theory of Fullerenes; 8. Recent Work on Toroidal and Other Exotic Fullerene Structures; 9. All-Conjugated Carbon Species.
摘要:Researchers who are active and often pioneers in the field explain how to provide mathematically non-sophisticated molecular descriptions encompassing three-dimensional aspects of molecules, which allow an easy intuitive grasp of their significance, the possibility of computing them for any imaginab.
