Towards higher scientific validity and regulatory acceptance of predictive models for PFAS
Anita Sosnowska, Natalia Buławska, Dominika Kowalska, Tomasz Puzyn
Abstract
This study aims at the evaluation of the available QSAR/QSPR models for PFAS and highlights the gaps and defines further challenges related to applying computational methods for predicting the activity and properties of PFAS.
Topics & Concepts
Quantitative structure–activity relationshipModel validationBiochemical engineeringPredictive validityComputer scienceRisk analysis (engineering)Management scienceMachine learningData sciencePsychologyBusinessEngineeringClinical psychologyPer- and polyfluoroalkyl substances researchVitamin D Research StudiesFluoride Effects and Removal