2015
DOI: 10.1080/1062936x.2014.993702
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Current situation on the availability of nanostructure–biological activity data

Abstract: The recent developments in nanotechnology have not only increased the number of nanoproducts on the market, but also raised concerns about the safety of engineered nanomaterials (ENMs) for human health and the environment. As the production and use of ENMs are increasing, we are approaching the point at which it is impossible to individually assess the toxicity of a vast number of ENMs. Therefore, it is desirable to use time-effective computational methods, such as the quantitative structure-activity relations… Show more

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Cited by 32 publications
(27 citation statements)
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“…It is, therefore, proposed as a better platform to clarify and uncover the HC‐dependent bio–nano interactions. In this study, click‐chemistry‐modified 2D graphene oxide (GO) platform was used to examine the effect of NanoSAR (structure–activity relationship) on HC and cytotoxicity, while avoiding the complex multigeometry interactions . GO is being increasingly investigated in biomedical fields, e.g., drug delivery, bioimaging, tissue engineering, and biosensing .…”
Section: Methodsmentioning
confidence: 99%
“…It is, therefore, proposed as a better platform to clarify and uncover the HC‐dependent bio–nano interactions. In this study, click‐chemistry‐modified 2D graphene oxide (GO) platform was used to examine the effect of NanoSAR (structure–activity relationship) on HC and cytotoxicity, while avoiding the complex multigeometry interactions . GO is being increasingly investigated in biomedical fields, e.g., drug delivery, bioimaging, tissue engineering, and biosensing .…”
Section: Methodsmentioning
confidence: 99%
“…The number and quality of in silico studies in the nanotechnology field is increasing, as is the interest in the further development and optimization of traditional computational tools in this new field of application [1][2][3][4][5][6]. Machine learning (ML) approaches, such as those based on the use of support vectors, neural networks and forest-like classifiers, have found large application in the field of computational chemistry [7][8][9][10].…”
Section: Introductionmentioning
confidence: 99%
“…Computational nanotoxicology seems to stand apart from the more traditional fields of application of ML, generally due to more limited sample populations, restricted availability of suitable theoretical descriptors and a wider diversity of physico-structural characteristics. However, several successful models have recently been published [1][2][3][4][5][6][13][14][15][16][17][18].…”
Section: Introductionmentioning
confidence: 99%
“…Given the current scarcity of hazard data in nanotoxicology (Oksel et al, 2015a) due to time, cost, and ethical factors, nanoSAR methods provide reasonably accurate results in a timely manner and make best use of these limited data. Maximizing the usefulness of limited data will provide opportunities to design inherently safer ENMs by structural manipulations (e.g.…”
Section: Introductionmentioning
confidence: 99%