Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

Agnieszka Gajewicz , Mark T. D. Cronin , Bakhtiyor Rasulev , Jerzy Leszczynski , Tomasz Puzyn

Abstract

Creating suitable chemical categories and developing read-across methods, supported by quantum mechanical calculations, can be an effective solution to solving key problems related to current scarcity of data on the toxicity of various nanoparticles. This study has demonstrated that by applying a nano-read-across, the cytotoxicity of nano-sized metal oxides could be estimated with a similar level of accuracy as provided by quantitative structure-activity relationship for nanomaterials (nano-QSAR model(s)). The method presented is a suitable computational tool for the preliminary hazard assessment of nanomaterials. It also could be used for the identification of nanomaterials that may pose potential negative impact to human health and the environment. Such approaches are especially necessary when there is paucity of relevant and reliable data points to develop and validate nano-QSAR models.
Author Agnieszka Gajewicz PChŚ
Agnieszka Gajewicz,,
- Laboratory of Environmental Chemometrics
, Mark T. D. Cronin
Mark T. D. Cronin,,
-
, Bakhtiyor Rasulev
Bakhtiyor Rasulev,,
-
, Jerzy Leszczynski
Jerzy Leszczynski,,
-
, Tomasz Puzyn PChŚ
Tomasz Puzyn,,
- Laboratory of Environmental Chemometrics
Journal seriesNanotechnology, ISSN 0957-4484
Issue year2015
Vol26
No1
Pages1-9
Publication size in sheets0.5
Keywords in Englishnanoparticles, nano-QSAR, nano-read-across, cytotoxicity
DOIDOI:10.1088/0957-4484/26/1/015701
URL http://iopscience.iop.org/0957-4484/26/1/015701/pdf/0957-4484_26_1_015701.pdf
Languageen angielski
Score (nominal)35
ScoreMinisterial score = 35.0, 07-08-2018, ArticleFromJournal
Ministerial score (2013-2016) = 35.0, 07-08-2018, ArticleFromJournal
Publication indicators WoS Impact Factor: 2015 = 3.573 (2) - 2015=3.611 (5)
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