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A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches

A computational technique for predicting the DTIs has now turned out to be an indispensable job during the process of drug finding. It tapers the exploration room for interactions by propounding possible interaction contenders for authentication through experiments of wet-lab which are known for the...

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Autores principales: Kaushik, Aman Chandra, Mehmood, Aamir, Dai, Xiaofeng, Wei, Dong-Qing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7176722/
https://www.ncbi.nlm.nih.gov/pubmed/32322011
http://dx.doi.org/10.1038/s41598-020-63842-7
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author Kaushik, Aman Chandra
Mehmood, Aamir
Dai, Xiaofeng
Wei, Dong-Qing
author_facet Kaushik, Aman Chandra
Mehmood, Aamir
Dai, Xiaofeng
Wei, Dong-Qing
author_sort Kaushik, Aman Chandra
collection PubMed
description A computational technique for predicting the DTIs has now turned out to be an indispensable job during the process of drug finding. It tapers the exploration room for interactions by propounding possible interaction contenders for authentication through experiments of wet-lab which are known for their expensiveness and time consumption. Chemogenomics, an emerging research area focused on the systematic examination of the biological impact of a broad series of minute molecular-weighting ligands on a broad raiment of macromolecular target spots. Additionally, with the advancement in time, the complexity of the algorithms is increasing which may result in the entry of big data technologies like Spark in this field soon. In the presented work, we intend to offer an inclusive idea and realistic evaluation of the computational Drug Target Interaction projection approaches, to perform as a guide and reference for researchers who are carrying out work in a similar direction. Precisely, we first explain the data utilized in computational Drug Target Interaction prediction attempts like this. We then sort and explain the best and most modern techniques for the prediction of DTIs. Then, a realistic assessment is executed to show the projection performance of several illustrative approaches in various situations. Ultimately, we underline possible opportunities for additional improvement of Drug Target Interaction projection enactment and also linked study objectives.
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spelling pubmed-71767222020-04-27 A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches Kaushik, Aman Chandra Mehmood, Aamir Dai, Xiaofeng Wei, Dong-Qing Sci Rep Article A computational technique for predicting the DTIs has now turned out to be an indispensable job during the process of drug finding. It tapers the exploration room for interactions by propounding possible interaction contenders for authentication through experiments of wet-lab which are known for their expensiveness and time consumption. Chemogenomics, an emerging research area focused on the systematic examination of the biological impact of a broad series of minute molecular-weighting ligands on a broad raiment of macromolecular target spots. Additionally, with the advancement in time, the complexity of the algorithms is increasing which may result in the entry of big data technologies like Spark in this field soon. In the presented work, we intend to offer an inclusive idea and realistic evaluation of the computational Drug Target Interaction projection approaches, to perform as a guide and reference for researchers who are carrying out work in a similar direction. Precisely, we first explain the data utilized in computational Drug Target Interaction prediction attempts like this. We then sort and explain the best and most modern techniques for the prediction of DTIs. Then, a realistic assessment is executed to show the projection performance of several illustrative approaches in various situations. Ultimately, we underline possible opportunities for additional improvement of Drug Target Interaction projection enactment and also linked study objectives. Nature Publishing Group UK 2020-04-22 /pmc/articles/PMC7176722/ /pubmed/32322011 http://dx.doi.org/10.1038/s41598-020-63842-7 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Kaushik, Aman Chandra
Mehmood, Aamir
Dai, Xiaofeng
Wei, Dong-Qing
A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title_full A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title_fullStr A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title_full_unstemmed A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title_short A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches
title_sort comparative chemogenic analysis for predicting drug-target pair via machine learning approaches
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7176722/
https://www.ncbi.nlm.nih.gov/pubmed/32322011
http://dx.doi.org/10.1038/s41598-020-63842-7
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