Machine learning in natural and engineered water systems

R Huang, C Ma, J Ma, X Huangfu, Q He - Water Research, 2021 - Elsevier
Water resources of desired quality and quantity are the foundation for human survival and
sustainable development. To better protect the water environment and conserve water …

[HTML][HTML] Nano-QSAR modeling for predicting the cytotoxicity of metallic and metal oxide nanoparticles: A review

J Li, C Wang, L Yue, F Chen, X Cao, Z Wang - … and Environmental Safety, 2022 - Elsevier
Given the rapid development of nanotechnology, it is crucial to understand the effects of
nanoparticles on living organisms. However, it is laborious to perform toxicological tests on a …

Interaction of nanoparticles with biological macromolecules: A review of molecular docking studies

AS Abdelsattar, A Dawoud, MA Helal - Nanotoxicology, 2021 - Taylor & Francis
The high frequency of using engineered nanoparticles in various medical applications
entails a deep understanding of their interaction with biological macromolecules. Molecular …

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 …

[HTML][HTML] Using Machine Learning to make nanomaterials sustainable

JJ Scott-Fordsmand, MJB Amorim - Science of The Total Environment, 2023 - Elsevier
Sustainable development is a key challenge for contemporary human societies; failure to
achieve sustainability could threaten human survival. In this review article, we illustrate how …

Machine learning accelerates quantum mechanics predictions of molecular crystals

Y Han, I Ali, Z Wang, J Cai, S Wu, J Tang, L Zhang… - Physics Reports, 2021 - Elsevier
Quantum mechanics (QM) approaches (DFT, MP2, CCSD (T), etc.) play an important role in
calculating molecules and crystals with a high accuracy and acceptable efficiency. In recent …

QSAR-Co-X: an open source toolkit for multitarget QSAR modelling

AK Halder, MN Dias Soeiro Cordeiro - Journal of Cheminformatics, 2021 - Springer
Quantitative structure activity relationships (QSAR) modelling is a well-known computational
tool, often used in a wide variety of applications. Yet one of the major drawbacks of …

[HTML][HTML] Health and environmental safety of nanomaterials: O Data, Where Art Thou?

I Furxhi - NanoImpact, 2022 - Elsevier
Nanotechnology keeps drawing attention due to the great tunable properties of
nanomaterials in comparison to their bulk conventional materials. The growth of …

Current state of laser-induced fluorescence spectroscopy for designing biochemical sensors

AT Taylor, EPC Lai - Chemosensors, 2021 - mdpi.com
Laser-induced fluorescence (LIF) has been a valuable analytical technique since the 1970s
that has only been made more useful through advances in other scientific fields such as …

A comprehensive systematic literature review of ML in nanotechnology for sustainable development

I Ur Rehman, I Ullah, H Khan, MS Guellil… - Nanotechnology …, 2024 - degruyter.com
The rapid expansion of nanotechnology has transformed numerous sectors, with
nanoproducts now ubiquitous in everyday life, electronics, healthcare, and pharmaceuticals …