diff --git a/tdc_leaderboard_submission.py b/tdc_leaderboard_submission.py index 04ad369..4bad0d9 100644 --- a/tdc_leaderboard_submission.py +++ b/tdc_leaderboard_submission.py @@ -265,3 +265,30 @@ def __getitem__(self, idx): results = group.evaluate_many(predictions_list) print(results) + +""" +>> { + 'caco2_wang': [0.35, 0.018], + 'hia_hou': [0.993, 0.005], + 'pgp_broccatelli': [0.942, 0.002], + 'bioavailability_ma': [0.689, 0.02], + 'lipophilicity_astrazeneca': [0.456, 0.008], + 'solubility_aqsoldb': [0.741, 0.013], + 'bbb_martins': [0.924, 0.003], + 'ppbr_az': [7.696, 0.125], + 'vdss_lombardo': [0.535, 0.027], + 'cyp2d6_veith': [0.719, 0.004], + 'cyp3a4_veith': [0.877, 0.001], + 'cyp2c9_veith': [0.823, 0.006], + 'cyp2d6_substrate_carbonmangels': [0.695, 0.032], + 'cyp3a4_substrate_carbonmangels': [0.663, 0.008], + 'cyp2c9_substrate_carbonmangels': [0.474, 0.025], + 'half_life_obach': [0.495, 0.042], + 'clearance_microsome_az': [0.628, 0.005], + 'clearance_hepatocyte_az': [0.446, 0.029], + 'herg': [0.846, 0.016], + 'ames': [0.849, 0.004], + 'dili': [0.956, 0.006], + 'ld50_zhu': [0.585, 0.008] +} +""" \ No newline at end of file