. 2022 Feb 18;94(8):3446–3455. doi: 10.1021/acs.analchem.1c03032

Table 2. Automated Annotation of Additional Studies^a.

study/dataset	species	sample	chromatography/MS instrument	annotations correct/reported	precision (%)	recall (%)	no ref.
AT+	Homo sapiens	adipose tissue	HILIC/Waters Synapt Q-ToF, ESI⁺	26/37	81.3	83.9	2 (5.4%)
AT–	Homo sapiens	adipose tissue	HILIC/Waters Synapt Q-ToF, ESI^–	16/21	84.2	88.9	2 (9.5%)
MTBLS666	Sus scrofa	amniotic fluid	RP-C18/Waters Synapt Q-ToF, ESI^–	3/32	60.0	10.0	27 (84.4%)
MTBLS816	Homo sapiens	urine	HILIC Positive/Agilent Q-ToF, ESI⁺	31/107	88.6	30.1	60 (56.1%)

Adipose tissue extract (AT) HILIC datasets and two publicly available datasets from the MetaboLights repository (MTBLS). Precision and recall refer to rank 1 automated annotations. No ref.—Annotations missed due to the absence of reference from the library. Annotations reported by the studies were level 2 and 3 except for MTBLS816 which is mostly composed of level 1 annotations (105 of 107).

Table 2. Automated Annotation of Additional Studiesa.

Table 2. Automated Annotation of Additional Studies^a.