prediction_SMILES.tab

Contains the model's output for the 20 test molecules provided in **test_SMILES.csv**. - The first column: chemical structure of the tested molecules in **SMILES format**. - The next 1,533 columns: quantitative values of the predicted endpoints. - The following columns: indicator values (in the same order), with: - **-1**: out of applicability domain (unreliable, should be ignored) - **1**: in applicability domain