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Table 2 Comparison of the selected feature sets for the three types of models

From: Ensemble learning for predicting ex vivo human placental barrier permeability

Category Linear regression Random forest Ensemble method
Autocorrelation AATSC3v, ATSC2e, GATS8c, AATSC1c, ATSC3v, GATS1s AATSC3v, AATSC2i, GATS1s, AATSC1c, MATS2i, GATS5m
Barysz matrix   VE1_Dze, VE3_Dzm  
Detour matrix VE1_Dt   
Extended topochemical atom ETA_BetaP   
Molecular linear free energy relation   MLFER_BH MLFER_BH
Path counts R_TpiPCTPC   
Topological polar surface area TopoPSA