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. 2023 Apr 17;15(4):1260. doi: 10.3390/pharmaceutics15041260

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]