Predicting Chemical Hazard across Taxa through Machine Learning

no code implementations • 7 Oct 2021 • Jimeng Wu, Simone D'Ambrosi, Lorenz Ammann, Julita Stadnicka-Michalak, Kristin Schirmer, Marco Baity-Jesi

We used our approach with standard machine learning models (K-nearest neighbors, random forests and deep neural networks), as well as the recently proposed Read-Across Structure Activity Relationship (RASAR) models, which were very successful in predicting chemical hazards to mammals based on chemical similarity.

BIG-bench Machine Learning valid