. 2020 Aug 10;34(2):286–299. doi: 10.1021/acs.chemrestox.0c00224

Table 1. Composition of the Reference Data Set^a in Terms of Metabolism Phase and Enzyme Family.

	number of metabolites^b	number of parent molecules
phase 1, all	1763	944
CYP	1640	–
phase 2, all	690	582
UGT	480	–
SULT	92	–
GST	46	–
NAT	34	–
MT	17	–
phase 1 + phase 2	2453	1420

The reference data set was created by combining the DrugBank and MetXBioDB metabolism data and removing the data for all parent molecules contained in the test set.

Note that the total numbers of phase 1 and phase 2 metabolites do not equal the sum of the metabolites from the listed enzyme families, because not all metabolites in the data set correspond to these main enzyme families.

Table 1. Composition of the Reference Data Seta in Terms of Metabolism Phase and Enzyme Family.

Table 1. Composition of the Reference Data Set^a in Terms of Metabolism Phase and Enzyme Family.