Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs

Tens of thousands of chemicals are released into the environment every day. High-throughput screening (HTS) has offered a more efficient and cost-effective alternative to traditional toxicity tests that can profile these chemicals for potential adverse effects with the aim to prioritize a manageable...

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Hauptverfasser: Menghang Xia, Ruili Huang
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Sprache:Englisch
Veröffentlicht: Frontiers Media SA 2021
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author Menghang Xia
Ruili Huang
author_browse Menghang Xia
Ruili Huang
author_facet Menghang Xia
Ruili Huang
author_sort Menghang Xia
collection Directory of Open Access Books
description Tens of thousands of chemicals are released into the environment every day. High-throughput screening (HTS) has offered a more efficient and cost-effective alternative to traditional toxicity tests that can profile these chemicals for potential adverse effects with the aim to prioritize a manageable number for more in depth testing and to provide clues to mechanism of toxicity. The Tox21 program, a collaboration between the National Institute of Environmental Health Sciences (NIEHS)/National Toxicology Program (NTP), the U.S. Environmental Protection Agency’s (EPA) National Center for Computational Toxicology (NCCT), the National Institutes of Health (NIH) National Center for Advancing Translational Sciences (NCATS), and the U.S. Food and Drug Administration (FDA), has generated quantitative high-throughput screening (qHTS) data on a library of 10K compounds, including environmental chemicals and drugs, against a panel of nuclear receptor and stress response pathway assays during its production phase (phase II). The Tox21 Challenge, a worldwide modeling competition, was launched that asks a “crowd” of researchers to use these data to elucidate the extent to which the interference of biochemical and cellular pathways by compounds can be inferred from chemical structure data. In the Challenge participants were asked to model twelve assays related to nuclear receptor and stress response pathways using the data generated against the Tox21 10K compound library as the training set. The computational models built within this Challenge are expected to improve the community’s ability to prioritize novel chemicals with respect to potential concern to human health. This research topic presents the resulting computational models with good predictive performance from this Challenge.
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spelling doab-20.500.12854ir-610642024-03-30T02:52:49Z Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs Menghang Xia Ruili Huang GE1-350 Q1-390 stress response predictive model QSAR HTS nuclear receptor in vitro assay Tox21 thema EDItEUR::K Economics, Finance, Business and Management::KC Economics::KCV Economics of specific sectors::KCVG Environmental economics Tens of thousands of chemicals are released into the environment every day. High-throughput screening (HTS) has offered a more efficient and cost-effective alternative to traditional toxicity tests that can profile these chemicals for potential adverse effects with the aim to prioritize a manageable number for more in depth testing and to provide clues to mechanism of toxicity. The Tox21 program, a collaboration between the National Institute of Environmental Health Sciences (NIEHS)/National Toxicology Program (NTP), the U.S. Environmental Protection Agency’s (EPA) National Center for Computational Toxicology (NCCT), the National Institutes of Health (NIH) National Center for Advancing Translational Sciences (NCATS), and the U.S. Food and Drug Administration (FDA), has generated quantitative high-throughput screening (qHTS) data on a library of 10K compounds, including environmental chemicals and drugs, against a panel of nuclear receptor and stress response pathway assays during its production phase (phase II). The Tox21 Challenge, a worldwide modeling competition, was launched that asks a “crowd” of researchers to use these data to elucidate the extent to which the interference of biochemical and cellular pathways by compounds can be inferred from chemical structure data. In the Challenge participants were asked to model twelve assays related to nuclear receptor and stress response pathways using the data generated against the Tox21 10K compound library as the training set. The computational models built within this Challenge are expected to improve the community’s ability to prioritize novel chemicals with respect to potential concern to human health. This research topic presents the resulting computational models with good predictive performance from this Challenge. 2021-02-12T06:11:18Z 2021-02-12T06:11:18Z 2017-10-13 14:57:01 2017 book 24004 16648714 9782889451975 https://directory.doabooks.org/handle/20.500.12854/61064 eng Frontiers Research Topics image/jpeg Attribution 4.0 International http://www.frontiersin.org/books/Tox21_Challenge_to_Build_Predictive_Models_of_Nuclear_Receptor_and_Stress_Response_Pathways_as_Medi/1237 http://journal.frontiersin.org/researchtopic/2954/tox21-challenge-to-build-predictive-models-of-nuclear-receptor-and-stress-response-pathways-as-media Frontiers Media SA 10.3389/978-2-88945-197-5 10.3389/978-2-88945-197-5 bf5ce210-e72e-4860-ba9b-c305640ff3ae 9782889451975 102 open access
spellingShingle GE1-350
Q1-390
stress response
predictive model
QSAR
HTS
nuclear receptor
in vitro assay
Tox21
thema EDItEUR::K Economics, Finance, Business and Management::KC Economics::KCV Economics of specific sectors::KCVG Environmental economics
Menghang Xia
Ruili Huang
Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title_full Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title_fullStr Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title_full_unstemmed Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title_short Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
title_sort tox21 challenge to build predictive models of nuclear receptor and stress response pathways as mediated by exposure to environmental toxicants and drugs
topic GE1-350
Q1-390
stress response
predictive model
QSAR
HTS
nuclear receptor
in vitro assay
Tox21
thema EDItEUR::K Economics, Finance, Business and Management::KC Economics::KCV Economics of specific sectors::KCVG Environmental economics
topic_facet GE1-350
Q1-390
stress response
predictive model
QSAR
HTS
nuclear receptor
in vitro assay
Tox21
thema EDItEUR::K Economics, Finance, Business and Management::KC Economics::KCV Economics of specific sectors::KCVG Environmental economics
url 24004
work_keys_str_mv AT menghangxia tox21challengetobuildpredictivemodelsofnuclearreceptorandstressresponsepathwaysasmediatedbyexposuretoenvironmentaltoxicantsanddrugs
AT ruilihuang tox21challengetobuildpredictivemodelsofnuclearreceptorandstressresponsepathwaysasmediatedbyexposuretoenvironmentaltoxicantsanddrugs