Table 2 Example of performance metrics of Class 1 systems by utilizing the classic and optimized horizontal cutoff.

	System	TP	FP	TN	FN	Precision	Recall	F-Score	Cutoff\(_{\Delta G}\)	Cutoff\(_{\Delta \Delta G}\)
Classic cutoff
Class 1	AZD8895	22	10	838	19	0.69	0.54	0.65	− 12.7	2.0
	S2E12	27	7	817	38	0.79	0.42	0.67	− 11.2	2.0
	REGN10933	19	26	798	44	0.42	0.30	0.39	− 17.5	2.0
	C105	3	6	816	64	0.33	0.04	0.15	− 9.5	2.0
	S2H14	12	11	781	85	0.52	0.12	0.32	− 12.8	2.0
Optimized cutoff
Class 1	AZD8895	20	6	842	21	0.77	0.49	0.69	− 12.5	2.2
	S2E12	34	7	817	31	0.83	0.52	0.74	− 11.5	1.7
	REGN10933	16	17	807	47	0.48	0.25	0.41	− 16.9	2.6
	C105	45	64	758	22	0.41	0.67	0.45	− 11.1	0.4
	S2H14	57	46	746	40	0.55	0.59	0.56	− 14.0	0.8

Cutoff\(_{\Delta G}\) and Cutoff\(_{\Delta \Delta G}\) correspond to cutoffs expressed in terms of \(\Delta G\) or \(\Delta \Delta G\), respectively. TP is true positive, FP is false positive, TN is true negative, and FN is false negative.

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