The isomeric SMILES corresponding to the chemical structures of the studied antibiotics; cefotaxime and ceftriaxone were obtained using PubChem. The corresponding 3D chemical structures were generated using the builder function of MOE version 2014.0901 (Chemical Computing Group Inc., Montreal, Canada). Further, energy minimization was carried out for all the investigated molecules using MMFF94x forcefield of the same software28 (link),29 .
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