Table 3: Performance of Bayesian and recursive partitioning models on the test set.

ModelTPFNFPTNSESPMCCQ+Q

NB-a42676820180.9850.9670.9040.8620.997
NB-b42582720590.9810.9870.9520.9410.996
NB-c3466235617560.8490.8320.5590.4930.966
NB-d389194020710.9540.9810.9170.9070.991
RP-a42683120550.9830.9850.9480.9320.996
RP-b42762920570.9870.9860.9530.9360.997
RP-c379548120050.8750.9610.8170.8240.974
RP-d401333520510.9250.9830.9060.9200.984

Note: NB-a: NB model with MOE 2D descriptors; NB-b: NB model with MOE 2D descriptors + ECFP_6; NB-c: NB model with DS 2D descriptors; NB-d: NB model with DS 2D descriptors + ECFP_6; RP-a: RP model with MOE 2D descriptors; RP-b: RP model with MOE 2D descriptors + ECFP_6; RP-c: RP model with DS 2D descriptors; RP-d: RP model with DS 2D descriptors + ECFP_6.