Artificial intelligence and machine learning in computational nanotoxicology: unlocking and empowering nanomedicine

AV Singh, MHD Ansari, D Rosenkranz… - Advanced …, 2020 - Wiley Online Library
Advances in nanomedicine, coupled with novel methods of creating advanced materials at
the nanoscale, have opened new perspectives for the development of healthcare and …

Graphene-based sensors for human health monitoring

H Huang, S Su, N Wu, H Wan, S Wan, H Bi… - Frontiers in …, 2019 - frontiersin.org
Since the desire for real-time human health monitoring as well as seamless human-machine
interaction is increasing rapidly, plenty of research efforts have been made to investigate …

Artificial intelligence and machine learning empower advanced biomedical material design to toxicity prediction

AV Singh, D Rosenkranz, MHD Ansari… - Advanced Intelligent …, 2020 - Wiley Online Library
Materials at the nanoscale exhibit specific physicochemical interactions with their
environment. Therefore, evaluating their toxic potential is a primary requirement for …

In chemico methodology for engineered nanomaterial categorization according to number, nature and oxidative potential of reactive surface sites

V Alcolea-Rodríguez, R Portela… - Environmental …, 2024 - pubs.rsc.org
Methanol probe chemisorption quantifies the number of reactive sites at the surface of
engineered nanomaterials, enabling normalization per reactive site in reactivity and toxicity …

Integrating structure annotation and machine learning approaches to develop graphene toxicity models

T Wang, DP Russo, D Bitounis, P Demokritou, X Jia… - Carbon, 2023 - Elsevier
Modern nanotechnology provides efficient and cost-effective nanomaterials (NMs). The
increasing usage of NMs brings great concerns regarding nanotoxicity in humans …

Engineering operando methodology: Understanding catalysis in time and space

R Portela, S Perez-Ferreras, A Serrano-Lotina… - Frontiers of Chemical …, 2018 - Springer
The term operando was coined at the beginning of this century to gather the growing efforts
devoted to establish structure-activity relationships by simultaneously characterizing a …

Machine learning-assisted prediction of the toxicity of silver nanoparticles: a meta-analysis

E Bilgi, CO Karakus - Journal of Nanoparticle Research, 2023 - Springer
Silver nanoparticles are likely to be more dangerous than other forms of silver due to the
intracellular release of silver ions upon dissolution and the formation of mixed ion-containing …

Nanotoxicity prediction using computational modelling-review and future directions

B Saini, S Srivastava - IOP Conference Series: Materials Science …, 2018 - iopscience.iop.org
Nanomaterials has stimulated various outlooks for future in a number of industries and
scientific ventures. A number of applications such as cosmetics, medicines, and electronics …

Overcoming roadblocks in computational roadmaps to the future for safe nanotechnology

CO Karakus, DA Winkler - Nano Futures, 2021 - iopscience.iop.org
The rapid rise of nanotechnology has resulted in a parallel rise in the number of products
containing nanomaterials. The unusual properties that nano forms of materials exhibit …

Identifying factors controlling cellular uptake of gold nanoparticles by machine learning

E Bilgi, DA Winkler, C Oksel Karakus - Journal of Drug Targeting, 2024 - Taylor & Francis
There is strong interest to improve the therapeutic potential of gold nanoparticles (GNPs)
while ensuring their safe development. The utility of GNPs in medicine requires a molecular …