Fundamental Principles of Molecular Modeling
Anton Amann · Jan C.A. Boeyens · W. Gans
jun 2013 · Springer Science & Business Media
eBook
249
Páginas
reportLas valoraciones y las reseñas no se verifican. Más información
Información sobre este eBook
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry.
This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design.
The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches.
The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design.
The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches.
The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
Valorar este eBook
Danos tu opinión.
Información sobre cómo leer
Smartphones y tablets
Instala la aplicación Google Play Libros para Android y iPad/iPhone. Se sincroniza automáticamente con tu cuenta y te permite leer contenido online o sin conexión estés donde estés.
Ordenadores portátiles y de escritorio
Puedes usar el navegador web del ordenador para escuchar audiolibros que hayas comprado en Google Play.
eReaders y otros dispositivos
Para leer en dispositivos de tinta electrónica, como los lectores de libros electrónicos de Kobo, es necesario descargar un archivo y transferirlo al dispositivo. Sigue las instrucciones detalladas del Centro de Ayuda para transferir archivos a lectores de libros electrónicos compatibles.
