2 papers
q-bio.QM2020
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump
Kevin S. McLoughlin, Claire G. Jeong, Thomas D. Sweitzer +7
Drug-induced liver injury (DILI) is the most common cause of acute liver failure and a frequent reason for withdrawal of candidate drugs during preclinical and clinical testing. An…
q-bio.QM2019
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery
Amanda J. Minnich, Kevin McLoughlin, Margaret Tse +9
One of the key requirements for incorporating machine learning into the drug discovery process is complete reproducibility and traceability of the model building and evaluation pro…