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
The data associated with the publication “An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling” represents the curated data assoc
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL4640 (TID: 100008), and it has 49 rows and
