PAULYOctanol-Air Partition Coefficient log Koa
kNNK-Nearest Neighbors Approach
k-Nearest Neighbors model to predict log Koa
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
curated dataset of Ebert et al. - containing 2,732 chemicals
2,458 chemicals
A leave-one-out cross-validation was performed to evaluate the developed model.