Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration

Benchmark Model Rank Results
molecular-property-prediction-on-bbbp-1MTL-BERT#2ROC-AUC: 93.0
molecular-property-prediction-on-bbbp-1STL-BERT#5ROC-AUC: 89.6
molecular-property-prediction-on-bbbp-1Cano-BERT#7ROC-AUC: 89.2