Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network.

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第一作者： Nicoleta,Spînu

第一单位： School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, UK.

作者： Nicoleta,Spînu ^[1] ; Mark T D,Cronin ^[1] ; Junpeng,Lao ^[2] ; Anna,Bal-Price ^[3] ; Ivana,Campia ^[3] ; Steven J,Enoch ^[1] ; Judith C,Madden ^[1] ; Liadys,Mora Lagares ^[4] ; Marjana,Novič ^[5] ; David,Pamies ^[6] ; Stefan,Scholz ^[7] ; Daniel L,Villeneuve ^[8] ; Andrew P,Worth ^[3]

作者单位： School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, UK. ^[1] Department of Psychology, University of Fribourg, Fribourg CH-1700, Switzerland. ^[2] European Commission, Joint Research Centre (JRC), Ispra, Italy. ^[3] Jožef Stefan International Postgraduate School, 1000 Ljubljana, Slovenia.;Theory Department, Laboratory for Cheminformatics, National Institute of Chemistry, 1000 Ljubljana, Slovenia. ^[4] Theory Department, Laboratory for Cheminformatics, National Institute of Chemistry, 1000 Ljubljana, Slovenia. ^[5] Department of Biomedical Science, University of Lausanne, Lausanne, Vaud, Switzerland.;Swiss Centre for Applied Human Toxicology (SCAHT), Switzerland. ^[6] Helmholtz-Centre for Environmental Research - UFZ, Department of Bioanalytical Ecotoxicology, Permoserstrasse 15, 04318 Leipzig, Germany. ^[7] US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, MN 55804, MN, USA. ^[8]

关键词 ADMET, Absorption, distribution, metabolism, excretion, and toxicity AO, Adverse outcome AOP, Adverse outcome pathway Adverse Outcome Pathway BBB, Blood-brain-barrier BDNF, Brain-derived neurotrophic factor Bayesian hierarchical model CAS RN, Chemical Abstracts Service Registry Number CI, Credible interval CKE, Common key event CNS, Central nervous system CRA, Chemical risk assessment Common Key Event DAG, Directed acyclic graph DNT, Developmental neurotoxicity DTXSID, The US EPA Comptox Chemical Dashboard substance identifier Developmental Neurotoxicity EC, Effective concentration HDI, Highest density interval IATA, Integrated Approaches to Testing and Assessment KE, Key event KER, Key event relationship LDH, Lactate dehydrogenase MCMC, Markov chain Monte Carlo MIE, Molecular initiating event NAM, New approach methodology New Approach Methodology OECD, Organisation for Economic Cooperation and Development P-gp, P-glycoprotein PBK, Physiologically-based kinetic QSAR, Quantitative structure-activity relationship SMILES, Simplified molecular input line entry system qAOP, Quantitative adverse outcome pathway

DOI 10.1016/j.comtox.2021.100206

PMID 35211661

发布时间 2024-08-24

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Computational toxicology (Amsterdam, Netherlands)

2022年21卷

100206页

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Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network.

Computational toxicology (Amsterdam, Netherlands)

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Computational toxicology (Amsterdam, Netherlands)

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Probabilistic modelling of developmental neurotoxicity based on a simplified adverse outcome pathway network.

Computational toxicology (Amsterdam, Netherlands)

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Computational toxicology (Amsterdam, Netherlands)

相关期刊

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