Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning
Jens A. Fuchs, Francesca Grisoni, Michael Kossenjans, Jan A. Hiss, Gisbert Schneider · MedChemComm · 2018
Lipophilicity prediction is routinely applied to small molecules. For compounds outside the domain of classical medicinal chemistry these predictions lack accuracy, advocating the development of bespoke in silico approaches.