Load Data for Prediction

By Inputting Smiles

By Uploading File(*csv,*sdf,*mol)


If upload is a csv file, it must consist of a SMILES column.
Uploading file supports the prediction of multiple molecules. We recommend to upload no more than 5000 compounds at a single time.
GASA performance

GASA was trained on 800,000 compounds from ChEMBL, GDBChEMBL, ZINC15, is able to distinguishing structurally similar molecules due to sampling around the hypothetical boundary line. AUC = 0.91