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首页> Environmental toxicology and pharmacology> Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions.

Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions.

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作者： Alla P,Toropova ^[1] ; Andrey A,Toropov ^[1] ; Jerzy,Leszczynski ^[2] ; Natalia,Sizochenko ^[3]

作者单位： Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Science, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy. ^[1] Interdisciplinary Center for Nanotoxicity, Department of Chemistry, Physics, and Atmospheric Sciences, Jackson State University, Jackson, MS, USA. ^[2] Department of Informatics, Postdoctoral Institute for Computational Studies, Enfield, NH, USA; The Ronin Institute of Independent Scholarship, Montclair, NJ, USA. Electronic address: natalia.sizochenko@picomps.org. ^[3]

关键词 CORAL software Metal oxide nanoparticles Molecular representation Monte carlo optimization Nano-QSAR Nano-SAR Quasi-SMILES

主题词细胞系(Cell Line);细胞存活(Cell Survival);人类(Humans);金属纳米粒子(Metal Nanoparticles);模型, 理论(Models, Theoretical);氧化物(Oxides);量化构效关系(Quantitative Structure-Activity Relationship);危险性评估(Risk Assessment)

DOI 10.1016/j.etap.2021.103665

PMID 33895354

发布时间 2021-08-20

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Environmental toxicology and pharmacology

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