Measuring solubility requires time-consuming experiments, often taking tens of hours to perform accurately, and may present significant challenges . Consequently, estimating solubility at the early discovery stage without using physical samples is highly beneficial. This estimation allows for the prediction of whether a proposed molecule falls outside the desired solubility range before it undergoes experimental testing or production. Should this be the case, the compound might be rejected or alternatively, it could be structurally modified to enhance its solubility. A critical question then arises: what is the most effective method for estimating the aqueous solubility of organic molecules?