Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Image-based profiling for drug discovery: due for a machine-learning upgrade?

SN Chandrasekaran, H Ceulemans, JD Boyd… - Nature Reviews Drug …, 2021 - nature.com
Image-based profiling is a maturing strategy by which the rich information present in
biological images is reduced to a multidimensional profile, a collection of extracted image …

Best practices in machine learning for chemistry

N Artrith, KT Butler, FX Coudert, S Han, O Isayev… - Nature …, 2021 - nature.com
Best practices in machine learning for chemistry | Nature Chemistry Skip to main content
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Applications of machine learning in human microbiome studies: a review on feature selection, biomarker identification, disease prediction and treatment

LJ Marcos-Zambrano… - Frontiers in …, 2021 - frontiersin.org
The number of microbiome-related studies has notably increased the availability of data on
human microbiome composition and function. These studies provide the essential material …

Deep learning algorithms for rotating machinery intelligent diagnosis: An open source benchmark study

Z Zhao, T Li, J Wu, C Sun, S Wang, R Yan, X Chen - ISA transactions, 2020 - Elsevier
Rotating machinery intelligent diagnosis based on deep learning (DL) has gone through
tremendous progress, which can help reduce costly breakdowns. However, different …

Artificial intelligence in psychiatry research, diagnosis, and therapy

J Sun, QX Dong, SW Wang, YB Zheng, XX Liu… - Asian Journal of …, 2023 - Elsevier
Psychiatric disorders are now responsible for the largest proportion of the global burden of
disease, and even more challenges have been seen during the COVID-19 pandemic …

Machine learning for metabolic engineering: A review

CE Lawson, JM Martí, T Radivojevic… - Metabolic …, 2021 - Elsevier
Abstract Machine learning provides researchers a unique opportunity to make metabolic
engineering more predictable. In this review, we offer an introduction to this discipline in …

TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments

L Chen, X Tan, D Wang, F Zhong, X Liu, T Yang… - …, 2020 - academic.oup.com
Motivation Identifying compound–protein interaction (CPI) is a crucial task in drug discovery
and chemogenomics studies, and proteins without three-dimensional structure account for a …

Machine learning-assisted low-dimensional electrocatalysts design for hydrogen evolution reaction

J Li, N Wu, J Zhang, HH Wu, K Pan, Y Wang, G Liu… - Nano-Micro Letters, 2023 - Springer
Efficient electrocatalysts are crucial for hydrogen generation from electrolyzing water.
Nevertheless, the conventional" trial and error" method for producing advanced …

Multiscale modeling meets machine learning: What can we learn?

GCY Peng, M Alber, A Buganza Tepole… - … Methods in Engineering, 2021 - Springer
Abstract Machine learning is increasingly recognized as a promising technology in the
biological, biomedical, and behavioral sciences. There can be no argument that this …