Fundamental Qsars for Metal Ions

ISBN-13: 9780367380526 / Angielski / Miękka / 2019 / 302 str.

John D. Walker; Michael C. Newman; Monica Enache

Opis

Focusing on the field of metal ion bioactivity in Quantitative Structure Activity Relationships (QSAR), this book concentrates on the basic and essential applications of QSAR methods in metal ions for readers familiar with the field and statistics. It delineates the theoretical basis and provides a concrete introduction to studying the biological activity and toxicity of metal ions as they impact health and the environment. The book describes the applications of QSARs in characterizing the biological activity and toxicity of metal ions and provides parameters for the correlation of structure with inorganic biological activity.

Spis treści

Introduction. Electronic Structure of Metals and Atomic Parameters. Properties of Metals and Metal Ions Related to QSAR Studies. Descriptors for Organometallic Complexes. QSARs for Predicting Cation Toxicity, Bioconcentration, Biosorption, and Binding. QSARs versus BLM. Regulatory Limits and Applications. Constructing QSARs for Metal Ions.