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Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation

Balaji Wamanrao Matore, Anjali Murmu, Purusottam Banjare, Naveen Kumar Vishvakarma, Partha Pratim Roy, Jagadish Singh

2025Computational Biology and Chemistry14 citationsDOI

Topics & Concepts

IsoindolineOxadiazoleDocking (animal)ChemistryCombinatorial chemistryComputer scienceOrganic chemistryMedicineNursingSynthesis and biological activityComputational Drug Discovery MethodsClick Chemistry and Applications
Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation | Litcius