Converting nanotoxicity data to information using artificial intelligence and simulation

X Yan, T Yue, DA Winkler, Y Yin, H Zhu… - Chemical …, 2023 - ACS Publications
Decades of nanotoxicology research have generated extensive and diverse data sets.
However, data is not equal to information. The question is how to extract critical information …

Synthesis optimization and adsorption modeling of biochar for pollutant removal via machine learning

W Zhang, R Chen, J Li, T Huang, B Wu, J Ma, Q Wen… - Biochar, 2023 - Springer
Due to large specific surface area, abundant functional groups and low cost, biochar is
widely used for pollutant removal. The adsorption performance of biochar is related to …

Merging data curation and machine learning to improve nanomedicines

C Chen, Z Yaari, E Apfelbaum, P Grodzinski… - Advanced drug delivery …, 2022 - Elsevier
Nanomedicine design is often a trial-and-error process, and the optimization of formulations
and in vivo properties requires tremendous benchwork. To expedite the nanomedicine …

Toward predicting nanoparticle distribution in heterogeneous tumor tissues

P MacMillan, AM Syed, BR Kingston, J Ngai… - Nano Letters, 2023 - ACS Publications
Nanobio interaction studies have generated a significant amount of data. An important next
step is to organize the data and design computational techniques to analyze the nanobio …

[HTML][HTML] Recent advances in utility of artificial intelligence towards multiscale colloidal based materials design

AA Moud - Colloid and Interface Science Communications, 2022 - Elsevier
Colloidal material design necessitates a collection of computer approaches ranging from
quantum chemistry to molecular dynamics and continuum modeling. Machine learning (ML) …

Intelligent control of nanoparticle synthesis through machine learning

H Lv, X Chen - Nanoscale, 2022 - pubs.rsc.org
The synthesis of nanoparticles is affected by many reaction conditions, and their properties
are usually determined by factors such as their size, shape and surface chemistry. In order …

Quantitative prediction of inorganic nanomaterial cellular toxicity via machine learning

N Shirokii, Y Din, I Petrov, Y Seregin, S Sirotenko… - Small, 2023 - Wiley Online Library
Organic chemistry has seen colossal progress due to machine learning (ML). However, the
translation of artificial intelligence (AI) into materials science is challenging, where biological …

Implementing comprehensive machine learning models of multispecies toxicity assessment to improve regulation of organic compounds

Y He, G Liu, S Hu, X Wang, J Jia, H Zhou… - Journal of Hazardous …, 2023 - Elsevier
Abstract Machine learning has made significant progress in assessing the risk associated
with hazardous chemicals. However, most models were constructed by randomly selecting …

Predicting the physicochemical properties and biological activities of monolayer-protected gold nanoparticles using simulation-derived descriptors

AK Chew, JA Pedersen, RC Van Lehn - ACS nano, 2022 - ACS Publications
Gold nanoparticles are versatile materials for biological applications because their
properties can be modulated by assembling ligands on their surface to form monolayers …

Digital innovation enabled nanomaterial manufacturing; machine learning strategies and green perspectives

G Konstantopoulos, EP Koumoulos, CA Charitidis - Nanomaterials, 2022 - mdpi.com
Machine learning has been an emerging scientific field serving the modern multidisciplinary
needs in the Materials Science and Manufacturing sector. The taxonomy and mapping of …