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
A multivariate analysis of drugs on the Swedish market was the basis for the selection of a small, physicochemically diverse set of 24 drug compounds. Factors such as structural diversity, commercial
acompounds to have a reasonable propability of being well absorbt their logP value must not be greater than 5.0. bmore than 80% of the drugs on the market have a (estimated) logS value greater than −4
A topological index is a numerical value derived from the structure of a molecule or graph that provides useful information about the molecule’s physical, chemical, or biological properties. These ind
