Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method
Shahin Ahmadi, Hosein Ghanbari, Shahram Lotfi, Neda Azimi
Topics & Concepts
Quantitative structure–activity relationshipMonte Carlo methodCalibrationBiological systemTraining setComputer scienceTest setMolecular descriptorArtificial intelligenceMachine learningChemistryMathematicsStatisticsBiologyFree Radicals and AntioxidantsPhytochemicals and Antioxidant ActivitiesComputational Drug Discovery Methods