Machine learning methods for small data challenges in molecular science

B Dou, Z Zhu, E Merkurjev, L Ke, L Chen… - Chemical …, 2023 - ACS Publications
Small data are often used in scientific and engineering research due to the presence of
various constraints, such as time, cost, ethics, privacy, security, and technical limitations in …

Machine learning accelerates the materials discovery

J Fang, M ** machine learning-based predictive regression models for …
S Zhong, X Guan - Environmental science & technology, 2023 - ACS Publications
In this study, we introduce the count-based Morgan fingerprint (C-MF) to represent chemical
structures of contaminants and develop machine learning (ML)-based predictive models for …

Predicting heavy metal adsorption on soil with machine learning and map** global distribution of soil adsorption capacities

H Yang, K Huang, K Zhang, Q Weng… - Environmental …, 2021 - ACS Publications
Studying heavy metal adsorption on soil is important for understanding the fate of heavy
metals and properly assessing the related environmental risks. Existing experimental …

Deep learning based data-driven model for detecting time-delay water quality indicators of wastewater treatment plant influent

Y Zhang, C Li, H Duan, K Yan, J Wang… - Chemical Engineering …, 2023 - Elsevier
Rapid and accurate detection of time-delayed water quality indicators (WQIs) is the key to
achieving fast feedback regulation of wastewater treatment plants (WWTPs) that enables its …

Revealing drivers of haze pollution by explainable machine learning

L Hou, Q Dai, C Song, B Liu, F Guo, T Dai… - … & Technology Letters, 2022 - ACS Publications
Many places on earth still suffer from a high level of atmospheric fine particulate matter
(PM2. 5) pollution. Formation of a particulate pollution event or haze episode (HE) involves …

Spatial heterogeneity modeling of water quality based on random forest regression and model interpretation

F Wang, Y Wang, K Zhang, M Hu, Q Weng… - Environmental …, 2021 - Elsevier
A systematic understanding of the spatial distribution of water quality is critical for successful
watershed management; however, the limited number of physical monitoring stations has …

Taking the leap between analytical chemistry and artificial intelligence: A tutorial review

LB Ayres, FJV Gomez, JR Linton, MF Silva… - Analytica Chimica …, 2021 - Elsevier
The last 10 years have witnessed the growth of artificial intelligence into different research
areas, emerging as a vibrant discipline with the capacity to process large amounts of …

Optimization of a novel engineered ecosystem integrating carbon, nitrogen, phosphorus, and sulfur biotransformation for saline wastewater treatment using an …

J Jiang, X **ang, Q Zhou, L Zhou, X Bi… - Environmental …, 2024 - ACS Publications
The denitrifying sulfur (S) conversion-associated enhanced biological phosphorus removal
(DS-EBPR) process for treating saline wastewater is characterized by its unique microbial …