A data-driven predictive approach for drug delivery using machine learning techniques.

In drug delivery, there is often a trade-off between effective killing of the pathogen, and harmful side effects associated with the treatment. Due to the difficulty in testing every dosing scenario experimentally, a computational approach will be helpful to assist with the prediction of effective d...

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Main Authors: Yuanyuan Li, Scott C Lenaghan, Mingjun Zhang
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2012-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC3285649?pdf=render
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author Yuanyuan Li
Scott C Lenaghan
Mingjun Zhang
author_facet Yuanyuan Li
Scott C Lenaghan
Mingjun Zhang
author_sort Yuanyuan Li
collection DOAJ
description In drug delivery, there is often a trade-off between effective killing of the pathogen, and harmful side effects associated with the treatment. Due to the difficulty in testing every dosing scenario experimentally, a computational approach will be helpful to assist with the prediction of effective drug delivery methods. In this paper, we have developed a data-driven predictive system, using machine learning techniques, to determine, in silico, the effectiveness of drug dosing. The system framework is scalable, autonomous, robust, and has the ability to predict the effectiveness of the current drug treatment and the subsequent drug-pathogen dynamics. The system consists of a dynamic model incorporating both the drug concentration and pathogen population into distinct states. These states are then analyzed using a temporal model to describe the drug-cell interactions over time. The dynamic drug-cell interactions are learned in an adaptive fashion and used to make sequential predictions on the effectiveness of the dosing strategy. Incorporated into the system is the ability to adjust the sensitivity and specificity of the learned models based on a threshold level determined by the operator for the specific application. As a proof-of-concept, the system was validated experimentally using the pathogen Giardia lamblia and the drug metronidazole in vitro.
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spelling doaj.art-8ed87f3eea634fd2bcfaf5ed585e0bb82022-12-21T23:35:13ZengPublic Library of Science (PLoS)PLoS ONE1932-62032012-01-0172e3172410.1371/journal.pone.0031724A data-driven predictive approach for drug delivery using machine learning techniques.Yuanyuan LiScott C LenaghanMingjun ZhangIn drug delivery, there is often a trade-off between effective killing of the pathogen, and harmful side effects associated with the treatment. Due to the difficulty in testing every dosing scenario experimentally, a computational approach will be helpful to assist with the prediction of effective drug delivery methods. In this paper, we have developed a data-driven predictive system, using machine learning techniques, to determine, in silico, the effectiveness of drug dosing. The system framework is scalable, autonomous, robust, and has the ability to predict the effectiveness of the current drug treatment and the subsequent drug-pathogen dynamics. The system consists of a dynamic model incorporating both the drug concentration and pathogen population into distinct states. These states are then analyzed using a temporal model to describe the drug-cell interactions over time. The dynamic drug-cell interactions are learned in an adaptive fashion and used to make sequential predictions on the effectiveness of the dosing strategy. Incorporated into the system is the ability to adjust the sensitivity and specificity of the learned models based on a threshold level determined by the operator for the specific application. As a proof-of-concept, the system was validated experimentally using the pathogen Giardia lamblia and the drug metronidazole in vitro.http://europepmc.org/articles/PMC3285649?pdf=render
spellingShingle Yuanyuan Li
Scott C Lenaghan
Mingjun Zhang
A data-driven predictive approach for drug delivery using machine learning techniques.
PLoS ONE
title A data-driven predictive approach for drug delivery using machine learning techniques.
title_full A data-driven predictive approach for drug delivery using machine learning techniques.
title_fullStr A data-driven predictive approach for drug delivery using machine learning techniques.
title_full_unstemmed A data-driven predictive approach for drug delivery using machine learning techniques.
title_short A data-driven predictive approach for drug delivery using machine learning techniques.
title_sort data driven predictive approach for drug delivery using machine learning techniques
url http://europepmc.org/articles/PMC3285649?pdf=render
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