Computational Nanotoxicology : Challenges and Perspectives /
The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexit...
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Other Authors: | , |
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Format: | Electronic eBook |
Language: | English |
Published: |
[Place of publication not identified] :
Jenny Stanford Publishing,
2019.
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Edition: | First edition. |
Subjects: | |
Online Access: | Taylor & Francis OCLC metadata license agreement |
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Summary: | The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials has attracted great interest because the application of these methods enables us to fill existing experimental data gaps. However, considering the high degree of complexity and multifunctionality of engineered nanoparticles, computational methods originally developed for regular (i.e., classic) chemicals cannot always be applied explicitly in nanotoxicology. Thus, the main idea of this book is to discuss the current state of the art and future needs in the development of computational modeling techniques for nanotoxicology. The book focuses on methodology. Among various in silico techniques, special attention is given to (i) computational chemistry (quantum mechanics, semi-empirical methods, density functional theory, molecular mechanics, molecular dynamics); (ii) nanochemoinformatic methods (quantitative structure-activity relationship modeling, grouping, read-across); and (iii) nanobioinformatic methods (genomics, transcriptomics, proteomics, metabolomics). |
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Physical Description: | 1 online resource (xvi, 552 pages). |
ISBN: | 9780429341373 0429341377 9781000680881 1000680886 9781000681420 1000681424 9781000681154 1000681157 |