Table 5.
Summary of AI methods to predict half-life property from 2019 to 2022.
Methods | Data Sources | Dataset Size (Compounds) |
Performance | Ref. |
---|---|---|---|---|
RF | [102] | 2127 | ACC = 0.76, AUC = 0.88 | [36] |
SVM, RF, GBM, XGB | [92] | 1352 | R2 = 0.832, RMSE = 0.154 | [86] |
MGAF | ChEMBL, PubChem, OCHEM, literature | 1219 | AUC = 0.822, ACC = 0.744 | [37] |
GCNN, GAT | ChEMBL, PubChem, DrugBank, literature | 665 | ACC = 0.773, AUC = 0.766 | [35] |