From: Topology-enhanced molecular graph representation for anti-breast cancer drug selection
ER\(\alpha\) value prediction | ADMET property prediction | ||
---|---|---|---|
Method | Runtime | Method | Runtime |
Linear Regression | 0.0937 | SVM | 3.7634 |
Random Forest | 3.9162 | Bi-LSTM | 19.0383 |
SVM | 3.4928 | Graph-CNN | 62.8520 |
ABCD-GGNN | 73.4433 | ABCD-GGNN | 76.1681 |