Beilstein J. Nanotechnol.2015,6, 1609–1634, doi:10.3762/bjnano.6.165
descriptors of engineered nanoparticles (mainly metal-based) and their potential toxicity. This dataset nicely demonstrates the complexity of the nanosafety domain. The ModNanoTox database provides physicochemical descriptors and toxic activities of nanoparticles from several studies. The database version
from August 2013 includes 86 assays with more than 100 different endpoints affecting 45 species.
Unfortunately, only a few nanoparticles (usually fewer than three) have been tested for each endpoint. Physicochemical descriptors for the characterisation of nanoparticles are incomplete as well (about 75
cases the number of measured nanoparticle properties was very low. Most studies report only two to four different nanoparticle properties (descriptors) and the descriptor types are very inconsistent (overall 36 different descriptors, which results in very sparse matrices with a high number of missing
Beilstein J. Nanotechnol.2015,6, 1568–1579, doi:10.3762/bjnano.6.160
are more closely related to the fate and effects of ZnO NPs than the core composition alone [18][19][22]. Thus, it is expected that surface chemical properties can be employed as descriptors to model the toxicity of various types of engineered ZnO NPs. The development of such relationships between a
extract descriptors useful as coordinates to develop a model of how surface chemistry impacts ZnO NP toxicity.
Selected surface features used in the PCA were those deemed likely to influence biological interactions with the NP surface. Size (SZ) was chosen as it has been reported by others to influence NP
consists of 8 property descriptors: size (SZ), Log D, polarizability (PL), polar surface area (PS), van der Waals surface (VS), solvent-accessible surface area (SASA), molar refractivity (RF) and Dreiding energy (DE) with 10 surface modified and 7 bare ZnO NPs (17 ZnO NP datasets × 8 properties). Each