This book provides an overview of statistical chemometric methods used in the rapidly changing arena of drug discovery. It deals with physicochemical molecular descriptors, modern statistical methods to study structure-property and structure-activity relationships, including three-dimensional QSAR approaches and the concepts of molecular diversity. All scientists who investigate quantitative structure-activity relationships in medicinal, agricultural, or environmental chemistry will benefit from this book.
Key Features
* Presented in a theoretical as well as practical manner
* Provides an excellent introduction and recent overview of the field
* Addresses a rapidly changing area in a timely manner
* Includes concise updates of
* The use of chemical descriptors
* Modern statistical approaches
* Comprehensive reviews of the literature in 3D-QSAR
* Concepts and applications of molecular similarity and diversity
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