Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments

Recent advances in single-molecule science have revealed an astonishing number of details on the microscopic states of molecules, which in turn defined the need for simple, automated processing of numerous time-series data. In particular, large datasets of time series of single protein molecules hav...

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Main Authors: Denis Horvath, Gabriel Žoldák
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Entropy
Subjects:
Online Access:https://www.mdpi.com/1099-4300/22/6/701
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author Denis Horvath
Gabriel Žoldák
author_facet Denis Horvath
Gabriel Žoldák
author_sort Denis Horvath
collection DOAJ
description Recent advances in single-molecule science have revealed an astonishing number of details on the microscopic states of molecules, which in turn defined the need for simple, automated processing of numerous time-series data. In particular, large datasets of time series of single protein molecules have been obtained using laser optical tweezers. In this system, each molecular state has a separate time series with a relatively uneven composition from the point of view-point of local descriptive statistics. In the past, uncertain data quality and heterogeneity of molecular states were biased to the human experience. Because the data processing information is not directly transferable to the black-box-framework for an efficient classification, a rapid evaluation of a large number of time series samples simultaneously measured may constitute a serious obstacle. To solve this particular problem, we have implemented a supervised learning method that combines local entropic models with the global Lehmer average. We find that the methodological combination is suitable to perform a fast and simple categorization, which enables rapid pre-processing of the data with minimal optimization and user interventions.
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spelling doaj.art-da365ab129e44ea88905f9d4e5d45b842023-11-20T04:44:57ZengMDPI AGEntropy1099-43002020-06-0122670110.3390/e22060701Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force ExperimentsDenis Horvath0Gabriel Žoldák1Center for Interdisciplinary Biosciences, Technology and Innovation Park, University of Pavol Jozef Šafárik, Jesenná 5, 041 01 Košice, SlovakiaCenter for Interdisciplinary Biosciences, Technology and Innovation Park, University of Pavol Jozef Šafárik, Jesenná 5, 041 01 Košice, SlovakiaRecent advances in single-molecule science have revealed an astonishing number of details on the microscopic states of molecules, which in turn defined the need for simple, automated processing of numerous time-series data. In particular, large datasets of time series of single protein molecules have been obtained using laser optical tweezers. In this system, each molecular state has a separate time series with a relatively uneven composition from the point of view-point of local descriptive statistics. In the past, uncertain data quality and heterogeneity of molecular states were biased to the human experience. Because the data processing information is not directly transferable to the black-box-framework for an efficient classification, a rapid evaluation of a large number of time series samples simultaneously measured may constitute a serious obstacle. To solve this particular problem, we have implemented a supervised learning method that combines local entropic models with the global Lehmer average. We find that the methodological combination is suitable to perform a fast and simple categorization, which enables rapid pre-processing of the data with minimal optimization and user interventions.https://www.mdpi.com/1099-4300/22/6/701single-protein dynamicsentropy-based classificationsignal pre-processing
spellingShingle Denis Horvath
Gabriel Žoldák
Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
Entropy
single-protein dynamics
entropy-based classification
signal pre-processing
title Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
title_full Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
title_fullStr Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
title_full_unstemmed Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
title_short Entropy-Based Strategies for Rapid Pre-Processing and Classification of Time Series Data from Single-Molecule Force Experiments
title_sort entropy based strategies for rapid pre processing and classification of time series data from single molecule force experiments
topic single-protein dynamics
entropy-based classification
signal pre-processing
url https://www.mdpi.com/1099-4300/22/6/701
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