PAULYAlgae Growth Inhibition log EC50
kNNK-Nearest Neighbors Aproach
k-Nearest Neighbors model to predict the acute toxicity log EC50 for Algae
k-nearest-neighbors model based on the Jaccard metric in the space of atom-centered fragment (ACF) counts. Note that the unit of EC50 is [mol/L] (given as log value).
inhouse UFZ dataset
44 datapoints
A leave-one-out cross-validation was performed to evaluate the developed model.