Drug Discovery On Tox21

AUC

평가 결과

이 벤치마크에서 각 모델의 성능 결과

비교 표

모델 이름	AUC
pre-training-graph-neural-networks	0.781
learning-graph-level-representation-for-drug	0.854
trimnet-learning-molecular-representation	0.860
relational-pooling-for-graph-representations	0.748
convolutional-networks-on-graphs-for-learning	0.846
toxicblend-virtual-screening-of-toxic	0.862
structure-to-property-chemical-element	0.961
git-mol-a-multi-modal-large-language-model	0.759
self-normalizing-neural-networks	0.845
all-smiles-vae	0.871
perforated-backpropagation-a-neuroscience	0.885