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


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 (FCh / DEChR / LECh)
Agnieszka Gajewicz,,
- Laboratory of Environmental Chemometrics
, Mark T. D. Cronin
Mark T. D. Cronin,,
, Bakhtiyor Rasulev
Bakhtiyor Rasulev,,
, Jerzy Leszczynski
Jerzy Leszczynski,,
, Tomasz Puzyn (FCh / DEChR / LECh)
Tomasz Puzyn,,
- Laboratory of Environmental Chemometrics
Journal seriesNanotechnology, ISSN 0957-4484, (A 35 pkt)
Issue year2015
Publication size in sheets0.5
Keywords in Englishnanoparticles, nano-QSAR, nano-read-across, cytotoxicity
ASJC Classification2208 Electrical and Electronic Engineering; 2210 Mechanical Engineering; 2211 Mechanics of Materials; 2500 General Materials Science; 1600 General Chemistry; 1502 Bioengineering
Languageen angielski
Score (nominal)35
ScoreMinisterial score = 35.0, 24-07-2019, ArticleFromJournal
Ministerial score (2013-2016) = 35.0, 24-07-2019, ArticleFromJournal
Publication indicators WoS Citations = 33; Scopus SNIP (Source Normalised Impact per Paper): 2015 = 1.035; WoS Impact Factor: 2015 = 3.573 (2) - 2015=3.611 (5)
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* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perish system.