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G-Networks to Predict the Outcome of Sensing of Toxicity

G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through the prediction of their bioactivity from the compo...

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Detalles Bibliográficos
Autores principales: Grenet, Ingrid, Yin, Yonghua, Comet, Jean-Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6210391/
https://www.ncbi.nlm.nih.gov/pubmed/30332807
http://dx.doi.org/10.3390/s18103483
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author Grenet, Ingrid
Yin, Yonghua
Comet, Jean-Paul
author_facet Grenet, Ingrid
Yin, Yonghua
Comet, Jean-Paul
author_sort Grenet, Ingrid
collection PubMed
description G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through the prediction of their bioactivity from the compounds’ physico-chemical structure, and propose that it be automated using machine learning (ML) techniques. Specifically the Random Neural Network is shown to be an effective analytical tool to this effect, and the approach is illustrated and compared with several ML techniques.
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spelling pubmed-62103912018-11-02 G-Networks to Predict the Outcome of Sensing of Toxicity Grenet, Ingrid Yin, Yonghua Comet, Jean-Paul Sensors (Basel) Article G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through the prediction of their bioactivity from the compounds’ physico-chemical structure, and propose that it be automated using machine learning (ML) techniques. Specifically the Random Neural Network is shown to be an effective analytical tool to this effect, and the approach is illustrated and compared with several ML techniques. MDPI 2018-10-16 /pmc/articles/PMC6210391/ /pubmed/30332807 http://dx.doi.org/10.3390/s18103483 Text en © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Grenet, Ingrid
Yin, Yonghua
Comet, Jean-Paul
G-Networks to Predict the Outcome of Sensing of Toxicity
title G-Networks to Predict the Outcome of Sensing of Toxicity
title_full G-Networks to Predict the Outcome of Sensing of Toxicity
title_fullStr G-Networks to Predict the Outcome of Sensing of Toxicity
title_full_unstemmed G-Networks to Predict the Outcome of Sensing of Toxicity
title_short G-Networks to Predict the Outcome of Sensing of Toxicity
title_sort g-networks to predict the outcome of sensing of toxicity
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6210391/
https://www.ncbi.nlm.nih.gov/pubmed/30332807
http://dx.doi.org/10.3390/s18103483
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