PAULYOctanol-Water Partition Coefficient log Kow
kNNK-Nearest Neighbors Approach
k-Nearest Neighbors model to predict log Kow
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
curated dataset of Mansouri et al. (initially 14,050 chemicals) - containing 13,889 chemicals
12,500 Chemicals
A leave-one-out cross-validation was performed to evaluate the developed model.