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
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spelling doaj-bd3fee63268d4d91bd1f0e73f6cbb34d2020-11-25T01:05:13ZengMDPI AGSymmetry2073-89942014-02-01619010210.3390/sym6010090sym6010090Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding SitesAndres Ortiz0Vladik Kreinovich1Department of Mathematical Sciences, University of Texas at El Paso, 500 W. University, El Paso, TX 79968, USADepartment of Computer Science, University of Texas at El Paso, 500 W. University, El Paso, TX 79968, USAWe 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.http://www.mdpi.com/2073-8994/6/1/90symmetriestransformation group approachmultiple binding sitesneural networks
collection DOAJ
language English
format Article
sources DOAJ
author Andres Ortiz
Vladik Kreinovich
spellingShingle Andres Ortiz
Vladik Kreinovich
Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
Symmetry
symmetries
transformation group approach
multiple binding sites
neural networks
author_facet Andres Ortiz
Vladik Kreinovich
author_sort Andres Ortiz
title Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
title_short Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
title_full Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
title_fullStr Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
title_full_unstemmed Using Symmetries (Beyond Geometric Symmetries) in Chemical Computations: Computing Parameters of Multiple Binding Sites
title_sort using symmetries (beyond geometric symmetries) in chemical computations: computing parameters of multiple binding sites
publisher MDPI AG
series Symmetry
issn 2073-8994
publishDate 2014-02-01
description 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.
topic symmetries
transformation group approach
multiple binding sites
neural networks
url http://www.mdpi.com/2073-8994/6/1/90
work_keys_str_mv AT andresortiz usingsymmetriesbeyondgeometricsymmetriesinchemicalcomputationscomputingparametersofmultiplebindingsites
AT vladikkreinovich usingsymmetriesbeyondgeometricsymmetriesinchemicalcomputationscomputingparametersofmultiplebindingsites
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