Publications

Peer-reviewed research papers and academic contributions

2025

Advanced Computational Approaches for Unraveling Transformation Pathways of Organic Micropollutants in Aquatic Environments: Insights from the Photodegradation of Ciprofloxacin

Weiwen Sun, Xiaotong Geng, Jihong Xu, Yong Huang, Shifa Zhong*, Lushi Lian*, Xiaohong Guan

Journal of the American Society for Mass Spectrometry

2025

TP-Transformer: An Interpretable Model for Predicting the Transformation Pathways of Organic Pollutants in Chemical Oxidation Processes

Zhenhua Dai, Jihong Xu, Jian Guan, Mingyang Feng, Yang Liu, Cuili Xing, Xuanying Cai, Shuchen Wang, Lushi Lian, Hongyu Dong, Zhiyong Jason Ren, Wei Shi, Alicia Kyoungjin An, Shifa Zhong*, Xiaohong Guan*

Environmental Science & Technology

Cover Article
2025

Data-Driven Insights into Resin Screening for Targeted Per- and Polyfluoroalkyl Substances Removal Using Machine Learning

Jing Zhang, Kaixing Fu, Shifa Zhong*, Jinming Luo*

Environmental Science & Technology, 59, 7, 3603–3612

2024

Ens-Chemage: Robust Molecular Image-based Ensemble Transfer Learning Framework for Small Contaminant Property Data sets

Shifa Zhong*, Jian Guan, Zhenhua Dai, Jibai Li, Xuanying Cai, Xintong Qu, Xiaohong Guan*

Environmental Science & Technology Letters

2024

Screening Environmental-benign Ionic Liquids for CO2 Absorption Using Representation Uncertainty-based Machine Learning

Shifa Zhong#, Yushan Chen#, Jibai Li, Thomas Igou, Anyue Xiong, Jian Guan, Zhenhua Dai, Xuanying Cai, Xintong Qu, Yongsheng Chen*

Environmental Science & Technology Letters

Co-first author
2024

Development of Machine Learning Models for Ion-Selective Electrode Cation Sensor Design

Yuankai Huang#, Shifa Zhong#, Lan Gan, Yongsheng Chen*

ACS ES&T Engineering, 4, 1702

Co-first author
2023

Developing Quantitative Structure–Activity Relationship (QSAR) Models for Water Contaminants' Activities/Properties by Fine-Tuning GPT-3 Models

Shifa Zhong, Xiaohong Guan

Environmental Science & Technology Letters, 10, 10, 872–877

2023

Count-based Morgan Fingerprint: A More Efficient and Interpretable Molecular Representation in Developing Machine Learning-based Predictive Regression Models for Water Contaminants' Activities/Properties

Shifa Zhong, Xiaohong Guan

Environmental Science & Technology

Cover Article ESI Highly Cited Paper

25

Publications

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400+

Citations

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15

H-Index

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20

i10-Index

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