PAULYWater Solubility log Sw
kNNK-Nearest Neighbors Approach
k-Nearest Neighbors model to predict log Sw
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
curated data set from Sorkun et al. with additional data from various compilations - a total of 9,800 chemicals
8,818 chemicals
A leave-one-out cross-validation was performed to evaluate the developed model.