Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity

Co-exposure of nanomaterials and chemicals can cause mixture toxicity effects to living organisms. Predictive models might help to reduce the intensive laboratory experiments required for determining the toxicity of the mixtures. Previously, concentration addition (CA), independent action (IA), and...

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Main Authors: Tung X. Trinh, Jongwoon Kim
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/11/1/124
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author Tung X. Trinh
Jongwoon Kim
author_facet Tung X. Trinh
Jongwoon Kim
author_sort Tung X. Trinh
collection DOAJ
description Co-exposure of nanomaterials and chemicals can cause mixture toxicity effects to living organisms. Predictive models might help to reduce the intensive laboratory experiments required for determining the toxicity of the mixtures. Previously, concentration addition (CA), independent action (IA), and quantitative structure–activity relationship (QSAR)-based models were successfully applied to mixtures of organic chemicals. However, there were few studies concerning predictive models for toxicity of nano-mixtures before June 2020. Previous reviews provided comprehensive knowledge of computational models and mechanisms for chemical mixture toxicity. There is a gap in the reviewing of datasets and predictive models, which might cause obstacles in the toxicity assessment of nano-mixtures by using in silico approach. In this review, we collected 183 studies of nano-mixture toxicity and curated data to investigate the current data and model availability and gap and to derive research challenges to facilitate further experimental studies for data gap filling and the development of predictive models.
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spelling doaj.art-dc7926a3de7846728d24c0810e712e3c2023-12-03T12:23:01ZengMDPI AGNanomaterials2079-49912021-01-0111112410.3390/nano11010124Status Quo in Data Availability and Predictive Models of Nano-Mixture ToxicityTung X. Trinh0Jongwoon Kim1Chemical Safety Research Center, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, KoreaChemical Safety Research Center, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, KoreaCo-exposure of nanomaterials and chemicals can cause mixture toxicity effects to living organisms. Predictive models might help to reduce the intensive laboratory experiments required for determining the toxicity of the mixtures. Previously, concentration addition (CA), independent action (IA), and quantitative structure–activity relationship (QSAR)-based models were successfully applied to mixtures of organic chemicals. However, there were few studies concerning predictive models for toxicity of nano-mixtures before June 2020. Previous reviews provided comprehensive knowledge of computational models and mechanisms for chemical mixture toxicity. There is a gap in the reviewing of datasets and predictive models, which might cause obstacles in the toxicity assessment of nano-mixtures by using in silico approach. In this review, we collected 183 studies of nano-mixture toxicity and curated data to investigate the current data and model availability and gap and to derive research challenges to facilitate further experimental studies for data gap filling and the development of predictive models.https://www.mdpi.com/2079-4991/11/1/124nano-mixturetoxicitydata curationpredictive models
spellingShingle Tung X. Trinh
Jongwoon Kim
Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
Nanomaterials
nano-mixture
toxicity
data curation
predictive models
title Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
title_full Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
title_fullStr Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
title_full_unstemmed Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
title_short Status Quo in Data Availability and Predictive Models of Nano-Mixture Toxicity
title_sort status quo in data availability and predictive models of nano mixture toxicity
topic nano-mixture
toxicity
data curation
predictive models
url https://www.mdpi.com/2079-4991/11/1/124
work_keys_str_mv AT tungxtrinh statusquoindataavailabilityandpredictivemodelsofnanomixturetoxicity
AT jongwoonkim statusquoindataavailabilityandpredictivemodelsofnanomixturetoxicity