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
Hofmeisteria schaffneri (Asteraceae) is a medicinal plant used in Central Mexico for pain relief. Although thymol- and northymol-derived metabolites contribute to its antinociceptive activity, the low
(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,
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
