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Interpretable machine learning framework for predicting pesticide phytotoxicity in wastewater reuse: Integrating molecular, quantum, and experimental descriptors

Aubin Siewetcheu Toukak, Wenjie Gao, Xu Chang, Ning Li, Guanyi Chen

2025Environmental Research5 citationsDOI

Topics & Concepts

InterpretabilityPhytotoxicityMachine learningPesticidePredictive modellingQuantitative structure–activity relationshipWastewaterEnvironmental scienceBiochemical engineeringArtificial intelligenceBiological systemConsistency (knowledge bases)Molecular descriptorComputer scienceEcotoxicologyContext (archaeology)Environmental monitoringEcotoxicityEnvironmental chemistrySimulation modelingExperimental dataWater pollutionPrecision agricultureEnvironmental toxicologyAgricultureChemistryRandom forestPollutantComputational Drug Discovery MethodsPesticide Residue Analysis and SafetyPesticide and Herbicide Environmental Studies
Interpretable machine learning framework for predicting pesticide phytotoxicity in wastewater reuse: Integrating molecular, quantum, and experimental descriptors | Litcius