Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models. - Milan Mladenovic; Alexandros Patsilinakos; Adele Pirolli; Manuela Sabatino; Rino Ragno (J. Chem. Inf. Model., 2017)

Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies. - Nezrina Mihovic; Nevena Tomasevic; Sanja Matic; Marina M. Mitrovic; Danijela A. Kostic; Manuela Sabatino; Lorenzo Antonini; Rino Ragno; Milan Mladenovic (J. Chem. Inf. Model., 2021)

Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal. - Eleonora Proia; Alessio Ragno; Lorenzo Antonini; Manuela Sabatino; Milan Mladenovic; Roberto Capobianco; Rino Ragno (J. Comput. Aided Mol. Des., 2022)

Essential Oils as Antimicrobials against Acinetobacter baumannii: Experimental and Literature Data to Definite Predictive Quantitative Composition-Activity Relationship Models Using Machine Learning Algorithms. - Roberta Astolfi; Alessandra Oliva; Antonio Raffo; Filippo Sapienza; Alessio Ragno; Eleonora Proia; Claudio M. Mastroianni; Cristina Luceri; Mijat Bozovic; Milan Mladenovic; Rosanna Papa; Patrizia Bottoni; et al. (J. Chem. Inf. Model., 2025)