Machine learning for nanoplasmonics

JF Masson, JS Biggins, E Ringe - Nature Nanotechnology, 2023 - nature.com
Plasmonic nanomaterials have outstanding optoelectronic properties potentially enabling
the next generation of catalysts, sensors, lasers and photothermal devices. Owing to optical …

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 …

Review and prospects on the ecotoxicity of mixtures of nanoparticles and hybrid nanomaterials

F Zhang, Z Wang, WJGM Peijnenburg… - … science & technology, 2022 - ACS Publications
The rapid development of nanomaterials (NMs) and the emergence of new multicomponent
NMs will inevitably lead to simultaneous exposure of organisms to multiple engineered …

Representing and describing nanomaterials in predictive nanoinformatics

E Wyrzykowska, A Mikolajczyk, I Lynch… - Nature …, 2022 - nature.com
Engineered nanomaterials (ENMs) enable new and enhanced products and devices in
which matter can be controlled at a near-atomic scale (in the range of 1 to 100 nm) …

On some novel similarity-based functions used in the ML-based q-RASAR approach for efficient quantitative predictions of selected toxicity end points

A Banerjee, K Roy - Chemical Research in Toxicology, 2023 - ACS Publications
The novel quantitative read-across structure–activity relationship (q-RASAR) approach uses
read-across-derived similarity functions in the quantitative structure–activity relationship …

Machine-learning-based similarity meets traditional QSAR:“q-RASAR” for the enhancement of the external predictivity and detection of prediction confidence outliers …

A Banerjee, K Roy - Chemometrics and Intelligent Laboratory Systems, 2023 - Elsevier
Recently, the concept of quantitative Read-Across Structure-Activity Relationship (q-RASAR)
has been introduced by using various Machine Learning (ML)-derived similarity functions in …

Machine learning boosts the design and discovery of nanomaterials

Y Jia, X Hou, Z Wang, X Hu - ACS Sustainable Chemistry & …, 2021 - ACS Publications
Nanomaterials (NMs) have developed quickly and cover various fields, but research on
nanotechnology and NMs largely relies on costly experiments or complex calculations (eg …

Efficient predictions of cytotoxicity of TiO2-based multi-component nanoparticles using a machine learning-based q-RASAR approach

A Banerjee, S Kar, S Pore, K Roy - Nanotoxicology, 2023 - Taylor & Francis
The availability of experimental nanotoxicity data is in general limited which warrants both
the use of in silico methods for data gap filling and exploring novel methods for effective …

Molecular similarity in chemical informatics and predictive toxicity modeling: From quantitative read-across (q-RA) to quantitative read-across structure–activity …

A Banerjee, S Kar, K Roy, G Patlewicz… - Critical Reviews in …, 2024 - Taylor & Francis
This article aims to provide a comprehensive critical, yet readable, review of general interest
to the chemistry community on molecular similarity as applied to chemical informatics and …

Microfluidic synthesis of luminescent and plasmonic nanoparticles: fast, efficient, and data‐rich

J Nette, PD Howes, AJ deMello - Advanced Materials …, 2020 - Wiley Online Library
Microfluidic approaches to nanomaterial synthesis provide an effective means of making
high quality products, with exquisite control over electronic, optical, and structural properties …