Druggability Assessment in TRAPP using Machine Learning Approaches

This archive contains data sets and software codes used for building ML models reported in the paper "Druggability Assessment in TRAPP using Machine Learning Approaches"; J. Chem. Inf. Model. 2020, 60, 3, 1685–1699;  https://doi.org/10.1021/acs.jcim.9b01185