BioinformaticsbioRxivPreprint
MS2Prop: A machine learning model that directly generates de novo predictions of drug-likeness of natural products from unannotated MS/MS spectra
Gennady Voronov, Rose Lightheart, Abe Frandsen…·Marvin S. Yu
MS2Prop predicts drug-likeness of natural products from unannotated MS/MS spectra without requiring chemical structure annotation.
18 citations