The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade

Environmental exposures are ubiquitous and play a significant, and sometimes understated, role in public health as they can lead to the development of various chronic and infectious diseases. In an ideal world, there would be sufficient experimental data to determine the health effects of exposure t...

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Main Authors: Siddhi Desai, Jewell Wilson, Chao Ji, Jason Sautner, Andrew J. Prussia, Eugene Demchuk, M. Moiz Mumtaz, Patricia Ruiz
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Toxics
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Online Access:https://www.mdpi.com/2305-6304/12/11/811
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author Siddhi Desai
Jewell Wilson
Chao Ji
Jason Sautner
Andrew J. Prussia
Eugene Demchuk
M. Moiz Mumtaz
Patricia Ruiz
author_facet Siddhi Desai
Jewell Wilson
Chao Ji
Jason Sautner
Andrew J. Prussia
Eugene Demchuk
M. Moiz Mumtaz
Patricia Ruiz
author_sort Siddhi Desai
collection DOAJ
description Environmental exposures are ubiquitous and play a significant, and sometimes understated, role in public health as they can lead to the development of various chronic and infectious diseases. In an ideal world, there would be sufficient experimental data to determine the health effects of exposure to priority environmental contaminants. However, this is not the case, as emerging chemicals are continuously added to this list, furthering the data gaps. Recently, simulation science has evolved and can provide appropriate solutions using a multitude of computational methods and tools. In its quest to protect communities across the country from environmental health threats, ATSDR employs a variety of simulation science tools such as Physiologically Based Pharmacokinetic (PBPK) modeling, Quantitative Structure–Activity Relationship (QSAR) modeling, and benchmark dose (BMD) modeling, among others. ATSDR’s use of such tools has enabled the agency to evaluate exposures in a timely, efficient, and effective manner. ATSDR’s work in simulation science has also had a notable impact beyond the agency, as evidenced by external researchers’ widespread appraisal and adaptation of the agency’s methodology. ATSDR continues to advance simulation science tools and their applications by collaborating with researchers within and outside the agency, including other federal/state agencies, NGOs, the private sector, and academia.
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spelling doaj-art-5ccb9d3662a746d09b9caf840b7c09992024-11-26T18:23:53ZengMDPI AGToxics2305-63042024-11-01121181110.3390/toxics12110811The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last DecadeSiddhi Desai0Jewell Wilson1Chao Ji2Jason Sautner3Andrew J. Prussia4Eugene Demchuk5M. Moiz Mumtaz6Patricia Ruiz7Oak Ridge Institute for Science and Education, Oak Ridge, TN 37830, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Associate Director for Science, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30329, USAEnvironmental exposures are ubiquitous and play a significant, and sometimes understated, role in public health as they can lead to the development of various chronic and infectious diseases. In an ideal world, there would be sufficient experimental data to determine the health effects of exposure to priority environmental contaminants. However, this is not the case, as emerging chemicals are continuously added to this list, furthering the data gaps. Recently, simulation science has evolved and can provide appropriate solutions using a multitude of computational methods and tools. In its quest to protect communities across the country from environmental health threats, ATSDR employs a variety of simulation science tools such as Physiologically Based Pharmacokinetic (PBPK) modeling, Quantitative Structure–Activity Relationship (QSAR) modeling, and benchmark dose (BMD) modeling, among others. ATSDR’s use of such tools has enabled the agency to evaluate exposures in a timely, efficient, and effective manner. ATSDR’s work in simulation science has also had a notable impact beyond the agency, as evidenced by external researchers’ widespread appraisal and adaptation of the agency’s methodology. ATSDR continues to advance simulation science tools and their applications by collaborating with researchers within and outside the agency, including other federal/state agencies, NGOs, the private sector, and academia.https://www.mdpi.com/2305-6304/12/11/811computational toxicologyPBPKQSARBMDfate and transport modelingmachine learning modeling
spellingShingle Siddhi Desai
Jewell Wilson
Chao Ji
Jason Sautner
Andrew J. Prussia
Eugene Demchuk
M. Moiz Mumtaz
Patricia Ruiz
The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
Toxics
computational toxicology
PBPK
QSAR
BMD
fate and transport modeling
machine learning modeling
title The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
title_full The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
title_fullStr The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
title_full_unstemmed The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
title_short The Role of Simulation Science in Public Health at the Agency for Toxic Substances and Disease Registry: An Overview and Analysis of the Last Decade
title_sort role of simulation science in public health at the agency for toxic substances and disease registry an overview and analysis of the last decade
topic computational toxicology
PBPK
QSAR
BMD
fate and transport modeling
machine learning modeling
url https://www.mdpi.com/2305-6304/12/11/811
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