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A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

https://doi.org/10.1021/acs.estlett.9b00476
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/ejoc.200700419openalex-snapshot
A Simple and Intuitive Description of C–H Bond Energies
inferredcites →https://doi.org/10.1007/11744023_34openalex-snapshot
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inferredcites →https://doi.org/10.1007/978-3-319-15518-0_15openalex-snapshot
Human Health Risk Assessment of Perfluoroalkyl Acids
inferredcites →https://doi.org/10.1016/s0933-3657(01)00077-xopenalex-snapshot
Machine learning for medical diagnosis: history, state of the art and perspective
inferredcites →https://doi.org/10.1021/acs.est.5b06237openalex-snapshot
Release of Per- and Polyfluoroalkyl Substances (PFASs) from Carpet and Clothing in Model Anaerobic Landfill Reactors
inferredcites →https://doi.org/10.1021/acs.est.6b05843openalex-snapshot
Discovery of 40 Classes of Per- and Polyfluoroalkyl Substances in Historical Aqueous Film-Forming Foams (AFFFs) and AFFF-Impacted Groundwater
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Sorption of Poly- and Perfluoroalkyl Substances (PFASs) Relevant to Aqueous Film-Forming Foam (AFFF)-Impacted Groundwater by Biochars and Activated Carbon
inferredcites →https://doi.org/10.1021/acs.est.7b03994openalex-snapshot
Certain Perfluoroalkyl and Polyfluoroalkyl Substances Associated with Aqueous Film Forming Foam Are Widespread in Canadian Surface Waters
inferredcites →https://doi.org/10.1021/acs.est.8b06648openalex-snapshot
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inferredcites →https://doi.org/10.1021/acs.est.8b07031openalex-snapshot
Breakdown Products from Perfluorinated Alkyl Substances (PFAS) Degradation in a Plasma-Based Water Treatment Process
inferredcites →https://doi.org/10.1021/acs.estlett.5b00049openalex-snapshot
Discovery and Implications of C2 and C3 Perfluoroalkyl Sulfonates in Aqueous Film-Forming Foams and Groundwater
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Detection of Poly- and Perfluoroalkyl Substances (PFASs) in U.S. Drinking Water Linked to Industrial Sites, Military Fire Training Areas, and Wastewater Treatment Plants
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inferredcites →https://doi.org/10.1021/acs.estlett.9b00280openalex-snapshot
Perfluoroalkyl Acid Characterization in U.S. Municipal Organic Solid Waste Composts
inferredcites →https://doi.org/10.1021/ci000387popenalex-snapshot
A New Method for Estimation of Homolytic C−H Bond Dissociation Enthalpies
inferredcites →https://doi.org/10.1021/ci034248uopenalex-snapshot
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inferredcites →https://doi.org/10.1021/es104326wopenalex-snapshot
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inferredcites →https://doi.org/10.1039/c7em00009jopenalex-snapshot
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inferredcites →https://doi.org/10.1089/ees.2016.0233openalex-snapshot
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inferredcites →https://doi.org/10.1109/64.491277openalex-snapshot
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inferredcites →https://doi.org/10.1186/1758-2946-5-34openalex-snapshot
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inferredcites →https://doi.org/10.2131/jts.41.sp27openalex-snapshot
Differential toxicity between perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA)
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
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inferred← citeshttps://doi.org/10.2139/ssrn.4147435openalex-extracted
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inferred← citeshttps://doi.org/10.1002/cjce.24674openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cssc.202401122openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/env.2772openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/pls2.10082openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/wer.70299openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-031-39470-6_8openalex-snapshot
Emergent Materials and Processes for Efficient Environmental Per- and Polyfluoroalkyl Substances Containment
inferred← citeshttps://doi.org/10.1007/978-3-031-66410-6_5openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00128-025-04179-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11696-026-04692-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-323-90508-4.00005-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.biortech.2022.127710openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cej.2022.135342openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cej.2026.182060openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ceja.2025.100910openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemosphere.2024.142701openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemosphere.2026.144852openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemphys.2021.111159openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.coche.2023.100956openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.dwt.2025.101598openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.envint.2022.107224openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.envint.2024.108568openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.envint.2025.109594openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.is.2024.102379openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2024.112859openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2025.115317openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2025.117384openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2026.122454openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2026.122804openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jece.2026.124717openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jenvman.2024.123941openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jenvman.2025.124665openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2021.125075openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2021.127026openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2021.127437openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2024.133804openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.140573openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.140934openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jwpe.2025.106941openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jwpe.2025.108224openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.mib.2021.09.013openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.micromeso.2026.114213openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123929openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.mser.2024.100880openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.mtchem.2025.103115openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.psep.2025.106869openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.psep.2026.109749openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.rineng.2026.111142openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.scitotenv.2022.154939openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.scitotenv.2024.172766openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.scitotenv.2025.179536openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.seppur.2022.120775openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.tibs.2024.11.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.trac.2025.118206openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.watres.2025.125137openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.watres.2026.125324openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.xinn.2024.100612openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.0c07202openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.1c01339openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.1c01603openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.1c04041openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.1c07413openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.2c01469openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.2c04400openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.4c03686openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.4c06519openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.4c14223openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.5c01242openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.6c00350openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.est.6c10458openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.estlett.1c00403openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.estlett.2c00530openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.estlett.6c00172openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.iecr.4c03715openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.6c02202openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c01710openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c00373openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestengg.4c00093openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestengg.6c00283openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestwater.2c00193openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestwater.3c00117openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestwater.4c01003openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsestwater.6c00012openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acsphyschemau.3c00056openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41597-021-00798-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41598-022-18366-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41598-025-93854-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s44221-025-00433-8openalex-snapshot
Merits, limitations and innovation priorities for heterogeneous catalytic platforms to destroy PFAS
inferred← citeshttps://doi.org/10.1039/c9cp06797copenalex-snapshot
Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons
inferred← citeshttps://doi.org/10.1039/d0cp02445gopenalex-snapshot
Examining the degradation of environmentally-daunting per- and poly-fluoroalkyl substances from a fundamental chemical perspective
inferred← citeshttps://doi.org/10.1039/d0cp02709jopenalex-snapshot
Machine-guided representation for accurate graph-based molecular machine learning
inferred← citeshttps://doi.org/10.1039/d0cp03694copenalex-snapshot
Harnessing deep neural networks to solve inverse problems in quantum dynamics: machine-learned predictions of time-dependent optimal control fields
inferred← citeshttps://doi.org/10.1039/d1cp05072aopenalex-snapshot
A machine learning approach for predicting the nucleophilicity of organic molecules
inferred← citeshttps://doi.org/10.1039/d2cp00439aopenalex-snapshot
Decoding hexanitrobenzene (HNB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as two distinctive energetic nitrobenzene compounds by machine learning
inferred← citeshttps://doi.org/10.1039/d2gc04341fopenalex-snapshot
Towards higher scientific validity and regulatory acceptance of predictive models for PFAS
inferred← citeshttps://doi.org/10.1039/d3dd00152kopenalex-snapshot
Spectroscopic constants from atomic properties: a machine learning approach
inferred← citeshttps://doi.org/10.1039/d3dd00169eopenalex-snapshot
Expansion of bond dissociation prediction with machine learning to medicinally and environmentally relevant chemical space
inferred← citeshttps://doi.org/10.1039/d3va00242jopenalex-snapshot
Modelling and predicting liquid chromatography retention time for PFAS with no-code machine learning
inferred← citeshttps://doi.org/10.1039/d5ew00888copenalex-snapshot
Biodegradation of per- and polyfluoroalkyl substances: mechanisms, challenges, and emerging strategies for sustainable remediation
inferred← citeshttps://doi.org/10.1039/d5nr03117fopenalex-snapshot
Mechanistic insights into plasmon-driven hot electron transfer from silver nanoclusters to PFAS: interplay of size and electronic structure
inferred← citeshttps://doi.org/10.1039/d5ra07508dopenalex-snapshot
Microbial and molecular approaches for PFAS transformation in soils: prospects and limitations
inferred← citeshttps://doi.org/10.1039/d5sc01624jopenalex-snapshot
A perspective of emerging trends in integrated PFAS detection and remediation technologies with data driven approaches
inferred← citeshttps://doi.org/10.1049/tje2.12184openalex-snapshot
Predicting liver disorder based on machine learning models
inferred← citeshttps://doi.org/10.1063/5.0246431openalex-snapshot
Amorphous-dominated MgO hollow spheres enhanced fluoride adsorption: Mechanism analysis and machine learning prediction
inferred← citeshttps://doi.org/10.1080/10643389.2023.2190313openalex-snapshot
Current applications and future impact of machine learning in emerging contaminants: A review
inferred← citeshttps://doi.org/10.1080/10643389.2025.2469868openalex-snapshot
New trend on chemical structure representation learning in toxicology: In reviews of machine learning model methodology
inferred← citeshttps://doi.org/10.1080/15376516.2024.2387733openalex-snapshot
Using machine learning to classify the immunosuppressive activity of per- and polyfluoroalkyl substances
inferred← citeshttps://doi.org/10.1080/15376516.2025.2570331openalex-snapshot
Computational evidence of cancer and reproductive toxicological potential from short-chain PFAS exposure through network toxicology and docking approaches
inferred← citeshttps://doi.org/10.1080/15422119.2023.2212295openalex-snapshot
Membrane Science Meets Machine Learning: Future and Potential Use in Assisting Membrane Material Design and Fabrication
inferred← citeshttps://doi.org/10.1088/1402-4896/adf14bopenalex-snapshot
Enabling ease of access to quantum chemistry with transformer-based text encoding and physics-informed multilayer perceptron
inferred← citeshttps://doi.org/10.1109/access.2021.3051505openalex-snapshot
Design and Analysis of An Data-Driven Intelligent Model for Persistent Organic Pollutants in the Internet of Things Environments
inferred← citeshttps://doi.org/10.1109/access.2026.3668252openalex-snapshot
Creep Prediction of Fluoroplastics Based on Physics Informed Neural Networks
inferred← citeshttps://doi.org/10.1109/eit57321.2023.10187291openalex-snapshot
Machine Learning Models for PFAS Tracking, Detection and Remediation: A Review
inferred← citeshttps://doi.org/10.1109/iceect61758.2024.10739142openalex-snapshot
Smart Commerce: Unleashing Machine Learning for Optimal Customer Experiences
inferred← citeshttps://doi.org/10.1109/urtc60662.2023.10534964openalex-snapshot
PFAS Incineration: Known Unknowns, Reaction Simulation, and ML to Predict Product Properties
inferred← citeshttps://doi.org/10.1155/2022/2239152openalex-snapshot
A Machine Learning Model to Predict Citation Counts of Scientific Papers in Otology Field
inferred← citeshttps://doi.org/10.1155/2022/4284146openalex-snapshot
PregTox: A Resource of Knowledge about Drug Fetal Toxicity
inferred← citeshttps://doi.org/10.1155/2022/7973446openalex-snapshot
Research on E-Commerce Database Marketing Based on Machine Learning Algorithm
inferred← citeshttps://doi.org/10.1155/2022/8211023openalex-snapshot
Modeling Energy Gap of Doped Tin (II) Sulfide Metal Semiconductor Nanocatalyst Using Genetic Algorithm‐Based Support Vector Regression
inferred← citeshttps://doi.org/10.1155/2022/8393498openalex-snapshot
DNA Methylation Biomarkers-Based Human Age Prediction Using Machine Learning
inferred← citeshttps://doi.org/10.1155/2022/8641194openalex-snapshot
Leukemia can be Effectively Early Predicted in Routine Physical Examination with the Assistance of Machine Learning Models
inferred← citeshttps://doi.org/10.1166/sam.2022.4302openalex-snapshot
Review on Perovskite-Type Compound Using Machine Learning
inferred← citeshttps://doi.org/10.12794/metadc1944346openalex-snapshot
Machine Learning in Computational Chemistry
inferred← citeshttps://doi.org/10.1371/journal.pone.0252753openalex-snapshot
Deep learning-based prediction of future growth potential of technologies
inferred← citeshttps://doi.org/10.1557/s43581-024-00122-1openalex-snapshot
Building a roadmap for safer and sustainable material chemistries: Addressing the PFAS problem through informatics and data-driven chemistry
inferred← citeshttps://doi.org/10.18596/jotcsa.1951243openalex-snapshot
Artificial Intelligence in Analytical Chemistry: A Critical Review of Applications, Model Performance, Validation, and Emerging Challenges
inferred← citeshttps://doi.org/10.20517/2394-4722.2025.18openalex-snapshot
A comprehensive study on the prognostic value of pyroptosis-associated genes in hepatocellular carcinoma
inferred← citeshttps://doi.org/10.20944/preprints202310.1855.v1openalex-snapshot
Leveraging Machine Learning for a Comprehensive Assessment of PFAS Nephrotoxicity
inferred← citeshttps://doi.org/10.20944/preprints202403.0627.v1openalex-snapshot
Application Of Machine Learning To Understand Pfas Occurrence, Distribution, Transport And Removal In Water
inferred← citeshttps://doi.org/10.21203/rs.3.rs-10285281/v1openalex-snapshot
Artificial-Intelligence-Guided Electrochemical Oxidation for Destroying Per- and Polyfluoroalkyl Substances (PFAS) in Drinking-Water Networks: A Transferable Framework from the United States to Peru
inferred← citeshttps://doi.org/10.2174/1389202923666220204153744openalex-snapshot
Comparisons of Forecasting for Survival Outcome for Head and Neck Squamous Cell Carcinoma by using Machine Learning Models based on Multi-omics
inferred← citeshttps://doi.org/10.2174/1389202923666220413114659openalex-snapshot
MetaConClust - Unsupervised Binning of Metagenomics Data using Consensus Clustering
inferred← citeshttps://doi.org/10.2174/1389202923666220511155939openalex-snapshot
Advancement in Deep Learning Methods for Diagnosis and Prognosis of Cervical Cancer
inferred← citeshttps://doi.org/10.2174/1389202923666220610121344openalex-snapshot
Establishment of New Genetic Markers and Methods for Sex Determination of Mouse and Human Cells using Polymerase Chain Reactions and Crude DNA Samples
inferred← citeshttps://doi.org/10.2174/1871527320666211213125847openalex-snapshot
Speech as a Biomarker for Depression
inferred← citeshttps://doi.org/10.2174/2210298102666220616114622openalex-snapshot
Multi-temporal Cloud Pixels Reconstruction Method for Optical Remote Sensing Satellite Images
inferred← citeshttps://doi.org/10.25046/aj090306openalex-snapshot
Leveraging Machine Learning for a Comprehensive Assessment of PFAS Nephrotoxicity
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-d147wopenalex-snapshot
Expansion of Bond Dissociation Prediction with Machine Learning to Medicinally and Environmentally Relevant Chemical Space
inferred← citeshttps://doi.org/10.26434/chemrxiv.12584930openalex-snapshot
A Database Framework for Rapid Screening of Structure-Function Relationships in PFAS Chemistry
inferred← citeshttps://doi.org/10.26434/chemrxiv.12584930.v1openalex-snapshot
A Database Framework for Rapid Screening of Structure-Function Relationships in PFAS Chemistry
inferred← citeshttps://doi.org/10.3390/ma15217782openalex-snapshot
Thermal Behavior Modeling Based on BP Neural Network in Keras Framework for Motorized Machine Tool Spindles
inferred← citeshttps://doi.org/10.3390/toxics11020098openalex-snapshot
A Machine Learning Model to Estimate Toxicokinetic Half-Lives of Per- and Polyfluoro-Alkyl Substances (PFAS) in Multiple Species
inferred← citeshttps://doi.org/10.47191/ijcsrr/v5-i10-08openalex-snapshot
PFAS Degradation Techniques – A Road towards Alleviating Organic Pollution
inferred← citeshttps://doi.org/10.54364/aaiml.2023.1182openalex-snapshot
A Novel Framework of Face Recognition using Heuristic Development of Ensemble Classifier Model
inferred← citeshttps://doi.org/10.69997/sct.135551openalex-snapshot
Streamlining Catalyst Development through Machine Learning: Insights from Heterogeneous Catalysis and Photocatalysis
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