PAULYOC-Water Partition Coefficient log Koc
kNNK-Nearest Neighbors Ansatz
k-Nearest Neighbors model to predict the OC-Water Partition Coefficient (log Koc)
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
Basic dataset: EPA (2014) EPI Suite curated by Mansouri et al.
655 chemicals
A leave-one-out cross-validation was performed to evaluate the developed model.