The excel file contains several subtables summarizing the CHEMBL upload files.1) reference.txt contains reference paper details like title, DOI, authors2) compound_record contains the entire list of m
Performance for different ratios between the positive and the negative cases in the training set. This file shows the performance on a balanced test set as a function of the ratio of positive and nega
(The cells were treated with 6-OAP at various concentrations for 48 h, the cell proliferation was analyzed by MTT assay, and the IC50 was calculated using the CalcuSyn software (version 2.0, Biosoft,
Full details of the SelleckChem FDA-approved drug library used for the screening assay as outlined in our manuscript. Dataset includes the names of the 1,954 drugs along with the following information
