Topological Indices and Related Descriptors in QSAR and QSPR

Topological Indices and Related Descriptors in QSAR and QSPR

2000 | James Devillers and Alexandru T. Balaban (Editors)
This book, "Topological Indices and Related Descriptors in QSAR and QSPR," edited by James Devillers and Alexandru T. Balaban, provides a comprehensive overview of molecular descriptors and their applications in QSAR and QSPR. The book is well-structured, with 17 chapters covering various aspects of topological indices, molecular graph theory, and their use in modeling molecular properties and activities. The first chapter discusses the limitations of molecular descriptors, while the second chapter traces the historical development of topological indices. The third chapter reviews key topological indices and graph theory concepts. Subsequent chapters explore vertex-edge weighted graphs, distance matrices, detour matrices, connectivity indices, molecular complexity, novel strategies for topological indices, molecular shape and flexibility, electrotopological states, information-theoretic indices, autocorrelation descriptors, DARC methods, hierarchical QSAR models, neural network modeling, and computational algorithms for topological indices. The book also highlights the contributions of Croatian scientists to the development of topological indices. It is a valuable resource for researchers and students in chemistry, biochemistry, biology, toxicology, medicinal chemistry, and related fields.This book, "Topological Indices and Related Descriptors in QSAR and QSPR," edited by James Devillers and Alexandru T. Balaban, provides a comprehensive overview of molecular descriptors and their applications in QSAR and QSPR. The book is well-structured, with 17 chapters covering various aspects of topological indices, molecular graph theory, and their use in modeling molecular properties and activities. The first chapter discusses the limitations of molecular descriptors, while the second chapter traces the historical development of topological indices. The third chapter reviews key topological indices and graph theory concepts. Subsequent chapters explore vertex-edge weighted graphs, distance matrices, detour matrices, connectivity indices, molecular complexity, novel strategies for topological indices, molecular shape and flexibility, electrotopological states, information-theoretic indices, autocorrelation descriptors, DARC methods, hierarchical QSAR models, neural network modeling, and computational algorithms for topological indices. The book also highlights the contributions of Croatian scientists to the development of topological indices. It is a valuable resource for researchers and students in chemistry, biochemistry, biology, toxicology, medicinal chemistry, and related fields.
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