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Neural Networks in Chemistry and Drug Design
By Jure Zupan; Johann Gasteiger

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ISBN: 978-3-527-29778-8
Author: Jure Zupan Johann Gasteiger
Publisher: John Wiley & Sons, Incorporated
Published: 10/25/1999 12:00:00 AM
Actual Price: $125.00
Binding Code: Trade Cloth
Copyright Date: 1999-01-01
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Due Date : 12/9/2010
Book Summary:
BASIC CONCEPTS. Defining the Area. Neuron. Linking Neurons into Networks. ONE-LAYER NETWORKS. Hopfield Network. Adaptive Bidirectional Associative Memory (ABAM). Kohonen Network. MULTILAYER NETWORKS. Counter-Propagation. Back-Propagation of Errors. APPLICATIONS. General Comments on Chemical Applications. Clustering of Multi-Component Analytical Data for Olive Oils. The Reactivity of Chemical Bonds and the Classification of Chemical Reactions. HPLC Optimization of Wine Analysis. Quantitative Structure-Activity Relationships. The Electrophilic Aromatic Substitution Reaction. Modeling and Optimizing a Recipe for a Paint Coating. Fault Detection and Process Control. Secondary Structure of Proteins. Infrared Spectrum-Structure Correlation. Properties of Molecular Surfaces. Libraries of Chemical Compounds. Representation of Chemical Structures. Prospects of Neural Networks for Chemical Applications. Appendices.