(iv) Important chemical features:Among the chemical attributes, LabuteASA, TPSA, NumRo-tatableBonds, NumHDonors and NumHAcceptors relatively stand out to be important . These predictors provide insights into molecule's aqueous solubility. For example, LabuteASA measures the exposed surface area of the molecule that interacts with the solvent, while TPSA reflects the molecule's polar surface area, which influences hydrogen bonding with water. The number of rotatable bonds (NumRotatableBonds) indicates the molecule's flexibility, in fact in this work specifically for bigger molecules (mostly corresponding to fraction > median MolWt) this feature is one of the most important predictors that agree with some of the recent analysis . Additionally, the number of hydrogen donors and acceptors(NumHDonors and NumHAcceptors) repsectively help gauge the molecule's ability to form hydrogen bonds with water, a critical factor in understanding solubility. Together, these predictors provide a comprehensive understanding of a molecule's behavior in an aqueous environment and also aligns with the understanding of aqueous solubility mechanisms.