Table of contents for Neural networks in chemistry and drug design / Jure Zupan and Johann Gasteiger.


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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.