PAULYAir-Water Partition Coefficient log Kaw
kNNK-Nearest Neighbors Approach
k-Nearest Neighbors model to predict log Kaw
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
extended dataset of Ebert et al. - 3267 chemicals
2,940 chemicals
A leave-one-out cross-validation was performed to evaluate the developed model.