Publications

• Sonadevi S., Rajaraman D., Periyasamy D., Sahaya Vijay Jeyaraj, Tony Augustin, Roy Santiago, Saritha M., and Athishu Anthony L., In Silico Rationalization of Piperidin-4-One Analogs as Anaplastic Lymphoma Kinase Inhibitors: Integration of Density Functional Theory, Topological Descriptor, Molecular Docking and Pharmacological Feature Profiling, “Journal of Molecular Structure”, (2024) 1311: 138356. DOI: 10.1016/j.molstruc.2024.138356.
 
• Sahaya Vijay Jeyaraj and Roy Santiago, A Study on Efficient Technique for Generating Vertex-based Topological Characterization of Boric Acid 2D Structure, “ACS Omega”, (2023) 8(25): 23089-23097. DOI: 10.1021/acsomega.3c02477.
 
• Sahaya Vijay Jeyaraj, Roy Santiago, Charles Beromeo Bheeter, Mohamad Nazri Husin, Tony Augustine, Rudrusamy U Gobithaasan, and Easuraja Michael, Topological Properties and Entropy Calculations of Aluminophosphates, “Mathematics”, (2023) 11(11): 2443. DOI: 10.3390/math11112443.
 
• Sahaya Vijay Jeyaraj and Roy Santiago, Computation of Wiener Descriptor for Melamine Cyanuric Acid Structure, “Polycyclic Aromatic Compounds”, (2023) 44(2): 1057-1071. DOI: 10.1080/10406638.2023.2186441.
 
• Tony Augustine, Roy Santiago, Sahaya Vijay Jeyaraj, Jain Maria Thomas and Shanmugam Palanisamy, Topological study on degree based molecular descriptors of fullerene cages, “Molecular Physics”, (2023) 121(4): e2179858. DOI: 10.1080/00268976.2023.2179858.