Brief description of the research
Dr. Marko Antonijević's research focuses on the application of artificial intelligence (AI) in chemistry, biochemistry, and chemoinformatics. Combining experimental and computational methods, his work explores how AI algorithms can advance the design and understanding of chemical compounds with potential therapeutic and industrial applications.
Special emphasis is placed on machine learning for predicting physicochemical properties, biological activities and toxicological profiles of molecules. Research includes molecular modeling, docking and molecular dynamics simulations to understand the interactions of molecules and biological targets.
Additionally, AI is applied in the optimization of "green chemistry" processes, as well as in the development of biomaterials, including hydrogels for regenerative medicine. By combining computational models and experimental methods, Dr. Antonijevic's work contributes to the advancement of scientific knowledge and the development of innovative solutions in healthcare, pharmacy, and sustainable industry.
Selected references
- Marko Antonijević, Dušica Simijonović, Edina Avdović, Andrija Ćirić, Zorica Petrović, Jasmina Dimitrić-Marković, Višnja Stepanić, Zoran Marković, Green One-Pot Synthesis of Coumarin-Hydroxybenzohydrazide Hybrids and Their Antioxidant Potency, Antioxidants, 10, 1106, 2021. (M21a)
- Žiko Milanović, Dušan Dimić, Marko Antonijević, Milan Žižić, Dejan Milenković, Edina Avdović, Zoran Marković, Influence of acid-base equilibria on the rate of the chemical reaction in the advanced oxidation processes... Chemical Engineering Journal, 453, 139648, 2023. (M21a)
- Ana Amić, Jasmina Dimitrić-Marković, Zoran Marković, Dejan Milenković, Žiko Milanović, Marko Antonijević, Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation... Antioxidants, 10(8), 1303, 2021. (M21a)
- Dušica Simijonović, Dejan Milenković, Edina Avdović, Žiko Milanović, Marko Antonijević, Ana Amić, Zana Dolićanin, Zoran Marković, Coumarin N-Acylhydrazone Derivatives: Green Synthesis and Antioxidant Potential, Antioxidants, 12(10), 1858, 2023. (M21a)
- Marko Antonijević, Edina Avdović, Dušica Simijonović, Žiko Milanović, Milan Žižić, Zoran Marković, Investigation of novel radical scavenging mechanisms in the alkaline environment... Science of the Total Environment, 912, 169307, 2024. (M21a)