Backpropagation neural network analysis applied to β-sheet breakers used against Alzheimer's amyloid aggregation

Structure-activity relationships of β-sheet inhibitors against Alzheimer's Aβ(1-42) amyloid aggregation were studied by backpropagation neural network analysis. It was found that the total and electrostatic energies of geometry-optimized conformations of the ligands, and the hydration energy, s...

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Bibliographic Details
Published in:Molecular simulation 2002-03, Vol.28 (3), p.239-247
Main Author: Mager, Peter
Format: Article
Language:English
Subjects:
Aβ peptide
Morbus Alzheimer
Neural networks
β-sheet breakers
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Summary:Structure-activity relationships of β-sheet inhibitors against Alzheimer's Aβ(1-42) amyloid aggregation were studied by backpropagation neural network analysis. It was found that the total and electrostatic energies of geometry-optimized conformations of the ligands, and the hydration energy, simulate the biological potency.
ISSN:0892-7022
1029-0435
DOI:10.1080/08927020290014358