Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
Additional file 7: Table S10. Weighted burden number descriptor values (PCAD) of FDA approved drugs and that of PubChem molecules which were enlisted in Table 3.
Accurate prediction of the physicochemical properties of drug compounds is critical for the development of effective and safe antibiotics. In this study, we employ advanced machine learning techniques
