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Table 3 Summary of the reasons for rejecting entries obtained through data curation using the original articles

From: A new workflow for the effective curation of membrane permeability data from open ADME information

Rejection reason

Number of unique entries

Number of unique chembl_id values

Number of unique doc_id values

Number of unique assay_id values

Number of entries of autocuration in curated_by columns in the assay table

Ambiguous cell lines from the original article

350

323

86

97

343

Average of apical to basolateral and basolateral to apical velocities

91

91

8

8

91

Different cell lines (such as Caco-2, 2/4/A1, PAMPA, and Lucifer Yellow Permeability)

152

108

24

36

129

From basolateral to apical (in description)

372

310

67

88

317

Expressing MDR1 (p-glycoprotein) and BCRP

731

667

119

133

596

Different pH (pH 5.5 or 6.5)

4

2

1

2

4

Measurements of efflux ratio

3

3

1

1

0

  1. Several duplicates were obtained