%0 Journal Article
%T Large-scale computational drug repositioning to find treatments for rare diseases
%A Jeffrey Lemoine
%A Manali Singha
%A Michal Brylinski
%A Misagh Naderi
%A Rajiv Gandhi Govindaraj
%J Archive of "NPJ Systems Biology and Applications".
%D 2018
%R 10.1038/s41540-018-0050-7
%X Performance assessment for the recognition of pockets binding similar ligands. The performance of eMatchSite alone and including virtual screening, labeled as eMatchSite/VS, is evaluated with BEDROC against the Huang dataset and compared to that of a random classifier. The Huang dataset contains ligand-bound and unbound structures. Boxes end at the quartiles Q1 and Q3, the horizontal line in a box is the median, and whiskers point at the farthest points that are within 3/2 times the interquartile rang
%U https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5847522/