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RESEARCH PAPER · Chemical Reviews · 2026

Using Machine Learning for Green Substitution of Industrial Chemicals: Integrating Functionality, Hazard, and Life Cycle Impact

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42 direct citing works

Using Machine Learning for Green Substitution of Industrial Chemicals: Integrating Functionality, Hazard, and Life Cycle ImpactOriginalA critical review on theoretical, computational and experimental insights into electrochemical PFAS degradation: environmental challenges and emerging remediation pathways2ParetoGen: Generative Machine Learning Models To Push the Pareto Optimal Frontier of Functionality-Hazard Trade-offs in Per- and Polyfluoroalkyl Substances Green Alternative Designs3Unlocking anode-free battery performance: AI-enhanced electron microscopy for deciphering layered cathode interfaces0Mitigating algorithmic bias in AI-powered toxicology: Frameworks for explainable and equitable predictions in human health and environmental safety3Bioderived molecularly imprinted polymers in medical diagnostics platforms: Toward sustainable, point-of-care solutions2Emerging biomaterials for sustainable innovation: advancements in smart wearable devices and self-powered technologies1An Ensemble Learning Framework Utilizing Fusion Molecular Fingerprints for Pollutant Removal Prediction in Advanced Treatments0Envisioning AI-empowered ecological, environmental, and health protection: Welcome submissions of interdisciplinary research0Emerging Trends in Artificial Intelligence‐Driven Drug Discovery: Balancing Chemical Design and Pharmacological Properties for Cancer Therapy0Tuning Mechanistic Pathways and Ion Selectivity in Micellar Catalysis—A Review0Integrating interpretable multimodal machine learning and Pareto optimization for energy-efficient removal of diverse PPCPs in plasma water treatment0A Forward-Looking Reflection on Deep Eutectic Solvents and Biocatalysis: From Environmental to Process-Related Angles0Artificial intelligence for toxicokinetic parameterization in environmental exposure assessment0Rapid assessment of the intrinsic hazard potential of different types of plastic additives using machine learning (RF-MLP)0Insights into the novel mechanisms in black ginseng flower, studies on screening, isolation and validation of AChE inhibitor for treating Alzheimer's disease0The Interface Science Data Repository: A (meta)data framework and platform for FAIR data reporting in experimental fluid interface science0DRT3-mediated protein-directed DNA synthesis: Mechanism, evolutionary context and engineering prospects0

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17 direct citing papers saved.

  1. A critical review on theoretical, computational and experimental insights into electrochemical PFAS degradation: environmental challenges and emerging remediation pathways

    Chemical Papers · 2026-02-20

    Aeyaz Ahmad Bhat, M. Faiz Ahmed, Noureddine Ali Elboughdiri, Anurag Malik, Karim Kriaa, Chemseddine Maatki, Bilel Hadrich, Jaskaran Preet Singh, Atif Khurshid Wani

    Read original paper ↗ ·
  2. ParetoGen: Generative Machine Learning Models To Push the Pareto Optimal Frontier of Functionality-Hazard Trade-offs in Per- and Polyfluoroalkyl Substances Green Alternative Designs

    Environmental Science & Technology · 2026-02-23

    Haobo Wang, Wenjia Liu, Jingwen Chen, Shengshe Ji, Gooré Bi

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  3. Unlocking anode-free battery performance: AI-enhanced electron microscopy for deciphering layered cathode interfaces

    Energy storage materials · 2026-04-12

    Xianqi Wu, Jiaming Ren, Xingyu Zhang, Febri Baskoro, Yicheng Tang, Junlei Xiang, Nayoung Jeon, Juyeong Kim, Ningyan Cheng, Binghui Ge, Afriyanti Sumboja, Woo Haw Jiunn, Jianhai Pan, Zhefei Sun, Jianwei Gu, Insung Han, Junfu Duan, Wenfei Yin, Yu Yao, Shoucong Ning, Qiaobao Zhang, Xiaohui Song

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  4. Mitigating algorithmic bias in AI-powered toxicology: Frameworks for explainable and equitable predictions in human health and environmental safety

    Toxicology Letters · 2026-05-20

    Olawale M. Ajisafe, Lydia Adeola Ogebule, Eghosasere Egbon, Olabanke Florence Olawuyi, Rosemary Olasilola, David B. Olawade

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  5. Bioderived molecularly imprinted polymers in medical diagnostics platforms: Toward sustainable, point-of-care solutions

    TrAC Trends in Analytical Chemistry · 2026-06-04

    Chaudhery Mustansar Hussain, Ghazanfar Hussain, Rüstem Keçili

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  6. Emerging biomaterials for sustainable innovation: advancements in smart wearable devices and self-powered technologies

    Progress in Materials Science · 2026-06-04

    Amirthavarshini Muthuraman, Archana Pandiyan, Loganathan Veeramuthu, Hemanth Jawaharlal, Snekaa Babu, Chen-Wei Fan, To-Ho Chao, Wei‐Hung Chiang, Ye Zhou, Chi‐Ching Kuo

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  7. An Ensemble Learning Framework Utilizing Fusion Molecular Fingerprints for Pollutant Removal Prediction in Advanced Treatments

    Environmental Science & Technology · 2026-06-09

    Meng-Jie Luo, Zhi-Heng Guo, Zhixiang She, Nannan Hou, X D Liu, Yang Mu

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  8. Envisioning AI-empowered ecological, environmental, and health protection: Welcome submissions of interdisciplinary research

    Eco-Environment & Health · 2026-07-22

    Jingwen Chen, Haobo Wang, Wenjia Liu, Jiale He, Gooré Bi, Jiaxing Xie

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  9. Emerging Trends in Artificial Intelligence‐Driven Drug Discovery: Balancing Chemical Design and Pharmacological Properties for Cancer Therapy

    Medicinal Research Reviews · 2026-07-27

    Mohsin Ali, Muhammad Ali Tajwar, Farid Ahmed, Muhammad Muzammal Hussain, Wai‐Yeung Wong, Hai Xiong

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  10. Tuning Mechanistic Pathways and Ion Selectivity in Micellar Catalysis—A Review

    International Journal of Chemical Kinetics · 2026-08-03

    Khalisanni Khalid, Mohammad Hafiz Hamzah

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  11. Integrating interpretable multimodal machine learning and Pareto optimization for energy-efficient removal of diverse PPCPs in plasma water treatment

    Journal of Cleaner Production · 2026-08-15

    Qing-Xin Shen, Jia Bao, Yang Liu, Xin Wang, Li Cui

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  12. A Forward-Looking Reflection on Deep Eutectic Solvents and Biocatalysis: From Environmental to Process-Related Angles

    ACS Sustainable Chemistry & Engineering · 2026-09-23

    Andrés R. Alcántara, Juan Manuel Bolivar, Pablo Domı́nguez de Marı́a, Gonzalo de Gonzalo, Selin Kara

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  13. Artificial intelligence for toxicokinetic parameterization in environmental exposure assessment

    Journal of Environmental Exposure Assessment · 2026-09-24

    Xue Wu, Zhicheng Zhang, Kun Mi, Qiran Chen

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  14. Rapid assessment of the intrinsic hazard potential of different types of plastic additives using machine learning (RF-MLP)

    Journal of Hazardous Materials · 2026-09-29

    Qiang Liu, ye zhang, Zhen Hua Liu, Honghui Teng

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  15. Insights into the novel mechanisms in black ginseng flower, studies on screening, isolation and validation of AChE inhibitor for treating Alzheimer's disease

    Microchemical Journal · 2026-10-05

    Linyi Li, Rui Meng, Jingyi Han, Yudi Li, Sainan Li, Chunming Liu, Yuchi Zhang

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  16. The Interface Science Data Repository: A (meta)data framework and platform for FAIR data reporting in experimental fluid interface science

    Advances in Colloid and Interface Science · 2026-10-05

    Pascal Bertsch, Emmanouil Chatzigiannakis, Peter Fischer, Emma B. A. Hinderink, Lucio Isa, Martin E. Leser, Julia Maldonado‐Valderrama, Reinhard Miller, Brent S. Murray, William E. Robinson, Leonard M.C. Sagis, Jacopo Vialetto, Jack Yang, Martin Malmsten

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  17. DRT3-mediated protein-directed DNA synthesis: Mechanism, evolutionary context and engineering prospects

    Gene Reports · 2026-10-07

    Bishal Singh, Abhisekh Sah, Akshay Kumar, Muskan Kapoor, Deepak Kumar

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