PAULYBioconcentration Factor log BCF
kNNK-Nearest Neighbors Approach
k-Nearest Neighbors model to predict the BCF
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts
curated dataset of the Bioconcentration Factor Database
950 datapoints
A leave-one-out cross-validation was performed to evaluate the developed model.