Orateur
Description
Caffeic acid (CA) derivatives are a class of natural compounds found in various sources; these compounds have been shown a huge range of biological activities, such as antioxidant, anti-inflammatory, and anti-diabetic properties. In this study, CA derivatives were collected from literature with antioxidant activity values to generate a 3D-QSAR model. The model was generated successfully with a high regression coefficient R²= 0.96 and a good cross-validated determination coefficient Q2cv= 0.53 for the training set. Furthermore, the model generated showed good predictive ability, with a high predictive value Q2= 0.76 for the test set. The generated 3D contour cubes were applied to find the structural properties important for the antioxidant activity.