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

作者：Gajewicz Agnieszka^*; Cronin Mark T D; Rasulev Bakhtiyor; Leszczynski Jerzy; Puzyn Tomasz

来源：Nanotechnology, 2015, 26(1): 015701.

DOI：10.1088/0957-4484/26/1/015701

• nanoparticles
• nano-QSAR
• nano-read-across
• cytotoxicity

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.

• 出版日期2015-1-9