Use SMILES, MOL file or MarvinSketch applet for input data on a structure of test compound.
Curated chemical gene interactions data in the training sets were retrieved from the Comparative Toxicogenomics Database (CTD), Mount Desert Island Biological Laboratory, Salisbury Cove, Maine. https://ctdbase.org/ [October, 2015].
Lagunin A., Ivanov S., Rudik A., Filimonov D., Poroikov V. DIGEP-Pred: web-service for in silico prediction of drug-induced gene expression profiles based on structural formula. Bioinformatics, 2013, 29, 2062-2063. [Abstract, PDF]