Skip to main content
. 2022 Nov 14;53(12):15246–15260. doi: 10.1007/s10489-022-04280-y

Table 6.

The performance comparison (ROC-AUC) with state-of-the-art methods on datasets from MoleculeNet. The best performance is denoted by bold

Dataset BACE BBBP Tox21 ToxCast
Mol2Vec 0.8137 0.8505 0.7497 0.6678
Seq2seq 0.7725 0.9073 0.7976 0.7107
Seq3seqFP 0.7725 0.9073 0.7107 −
GraSeq 0.8382 0.9426 0.8195 0.733
TranGRU 0.7896 0.9772 0.8126 0.7126