Genetic Algorithms in Molecular Modeling (Principles of QSAR and Drug Design)

✍ Scribed by James Devillers

Year: 1996
Tongue: English
Leaves: 345
Edition: 1
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field.Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. . Extremely topical and timely. Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design. Written to be accessible without prior direct experience in genetic algorithms

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✍ Ramon Carbó-Dorca, David Robert, Lluís Amat, Xavier Gironés, Emili Besalú (auth. 📂 Library 📅 2000 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to comput