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
Topics & Concepts
IsoindolineOxadiazoleDocking (animal)ChemistryCombinatorial chemistryComputer scienceOrganic chemistryMedicineNursingSynthesis and biological activityComputational Drug Discovery MethodsClick Chemistry and Applications