Identifying diverse metal oxide nanomaterials with lethal effects on embryonic zebrafish using machine learning

• Richard Liam Marchese Robinson,
• Haralambos Sarimveis,
• Philip Doganis,
• Xiaodong Jia,
• Marianna Kotzabasaki,
• Christiana Gousiadou,
• Stacey Lynn Harper and
• Terry Wilkins

Beilstein J. Nanotechnol. 2021, 12, 1297–1325, doi:10.3762/bjnano.12.97

• , embryonic zebrafish (Danio Rerio) are recognised as a key human safety relevant in vivo test system. Hence, machine learning models were developed for identifying metal oxide nanomaterials causing lethality to embryonic zebrafish up to 24 hours post-fertilisation, or excess lethality in the period of 24–120

• these modelling results are on truly external data, which were not used to select the single descriptor model. This will require further laboratory work to generate comparable data to those studied herein. Keywords: data augmentation; embryonic zebrafish; machine learning; nanosafety; nano-QSAR

• . Increasingly, there is interest in using (embryonic) zebrafish (Danio Rerio) as experimental test subjects to assess potential human safety concerns of chemicals [22] and materials, including nanomaterials [23][24]. It is argued that embryonic zebrafish provide “the power of whole-animal investigations

Influence of surface chemical properties on the toxicity of engineered zinc oxide nanoparticles to embryonic zebrafish

• Zitao Zhou,
• Jino Son,
• Bryan Harper,
• Zheng Zhou and
• Stacey Harper

Beilstein J. Nanotechnol. 2015, 6, 1568–1579, doi:10.3762/bjnano.6.160

• surface ligands of engineered ZnO NPs alter their toxicity and 2) to determine if these features can be used to model the developmental toxicity of ZnO nanoparticles to embryonic zebrafish (Danio rerio) (Figure 1). Zebrafish embryos were selected as vertebrate test species as their transparent tissues

• radius of each component atom in the molecule. Van der Waal surface area values for bare ZnO were 50.3 Å2 and ranged from 173 to 560.40 Å2 for other surface chemistries. These values had the highest variance in our estimations. ZnO nanoparticle toxicity Embryonic zebrafish mortality was concentration

• separate the particles. Graphing the PCA scores for PC1 versus PC2 allows for the use of Euclidean distance to identify clusters of similar NPs with respect to their toxicity to embryonic zebrafish. As predicted, the various surface modifications to ZnO NPs resulted in distinct groupings based on these

Using natural language processing techniques to inform research on nanotechnology

• Nastassja A. Lewinski and
• Bridget T. McInnes

Beilstein J. Nanotechnol. 2015, 6, 1439–1449, doi:10.3762/bjnano.6.149

• Interactions (NBI) knowledge base. The NBI includes data on the mortality, delayed development and morphological malformations of embryonic zebrafish due to the toxicity of various nanomaterials including metal nanoparticles, dendrimer, metal oxide and polymeric materials [40]. Java Applets were used to