Protocols, components and code used from the manuscript "Proteochemometric modeling identifies chemically diverse norepinephrine transporter inhibitors" submitted by Brandon J. Bongers And Huub J. Sijben. (Submission in Progress)
.ppxml files were created and run in Pipeline Pilot (Version 18). Machine Learning was performed using R (Version 3.5.1) as wrapped within these protocols. Seeds were set to '12345'
Further information can be found in the manuscript as presented for review, this will be updated once published.