Table 3.

Comparison of adjusted performance measurement between subenzymes and tools

Performance measurement	Subenzym
	CYP1A2	CYP2C9	CYP2C19	CYP2D6	CYP3A4	All
CYPlebrity
Cohen’s κ	0.21	0.20	0.35	0.35	0.39	0.31
MCC	0.34	0.20	0.36	0.36	0.42	0.33
SuperCYPsPred: MACCS fingerprint
Cohen’s κ	0.30	0.06	0.38	0.25	0.11	0.23
MCC	0.32	0.08	0.38	0.28	0.11	0.24
SuperCYPsPred: Morgan fingerprint
Cohen’s κ	0.11	−0.15	0.32	0.20	0.08	0.15
MCC	0.15	−0.15	0.33	0.24	0.09	0.16
SuperCYPsPred: consistent result only
Cohen’s κ	0.29	−0.14	0.40	0.30	0.11	0.25
MCC	0.31	−0.14	0.40	0.32	0.11	0.25
SuperCYPsPred: higher confidence
Cohen’s κ	0.19	−0.04	0.32	0.27	0.11	0.20
MCC	0.20	−0.04	0.33	0.31	0.11	0.21
ADMET Predictor
Cohen’s κ	0.09	0.28	0.29	0.48	0.28	0.32
MCC	0.14	0.36	0.30	0.56	0.36	0.38
ADMET lab
Cohen’s κ	0.16	0.14	0.53	0.33	0.06	0.26
MCC	0.30	0.14	0.55	0.35	0.08	0.28