Molecular Design

Chemical Structure Generation from the Properties of Pure Organic Compounds

A.L. Horvath

• Publisher: Elsevier Science
• Year: 2012
• Print ISBN: 9780444892171
• eBook ISBN: 9780444596734
• Topic: Physical Sciences
• Subtopic: Organic Chemistry

This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.

Table of contents

• Front Cover
• Molecular Design: Chemical Structure Generation fromthe Properties of Pure Organic Compounds
• Copyright Page
• Table of Contents
• Preface
• Introduction
• Chapter 1. Structure of Pure Organic Compounds
• Chapter 2. Properties of Pure Organic Compounds
• Chapter 3. Relations between Structure and Properties
• Chapter 4. Models for Structure Generation
• Chapter 5. How the Models Work
• Appendix
• References
• Subject Index