On the relationship of anthranilic derivatives structure and the FXR (Farnesoid X receptor) agonist activity
Thales Kronenberger, Björn Windshügel, Carsten Wrenger, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo · Journal of Biomolecular Structure and Dynamics · 2017
), when compared to models based only on average values. SD-based models revealed more accurate predictions for the set of test compounds, with lower mean absolute error indices as well as more residuals near zero. Additionally, the visual interpretation of different QSAR approaches agrees with experimental data, highlighting key elements for understanding the biological activity of AADs. The approach using standard deviation values may offer new possibilities for generating more accurate QSAR models based on available experimental data.