Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites

Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites

We show how transformation group ideas can be naturally used to generate efficient algorithms for scientific computations. The general approach is illustrated on the example of determining, from the experimental data, the dissociation constants related to multiple binding sites. We also explain how...

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Bibliographic Details
Main Authors: Andres Ortiz, Vladik Kreinovich
Format: Article
Language:English
Published: MDPI AG 2014-02-01
Series:Symmetry
Subjects:
symmetries
transformation group approach
multiple binding sites
neural networks
Online Access:http://www.mdpi.com/2073-8994/6/1/90
Description
Summary:We show how transformation group ideas can be naturally used to generate efficient algorithms for scientific computations. The general approach is illustrated on the example of determining, from the experimental data, the dissociation constants related to multiple binding sites. We also explain how the general transformation group approach is related to the standard (backpropagation) neural networks; this relation justifies the potential universal applicability of the group-related approach.
ISSN:2073-8994

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