Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1783367103654395904 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6210391 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT grenetingrid gnetworkstopredicttheoutcomeofsensingoftoxicity AT yinyonghua gnetworkstopredicttheoutcomeofsensingoftoxicity AT cometjeanpaul gnetworkstopredicttheoutcomeofsensingoftoxicity |