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Machine learning for nanoplasmonics
Plasmonic nanomaterials have outstanding optoelectronic properties potentially enabling
the next generation of catalysts, sensors, lasers and photothermal devices. Owing to optical …
the next generation of catalysts, sensors, lasers and photothermal devices. Owing to optical …
Converting nanotoxicity data to information using artificial intelligence and simulation
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 …
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 …
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) …
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 …
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 …
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 …
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
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 …
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 …
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 …
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 …
high quality products, with exquisite control over electronic, optical, and structural properties …