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Table 4 Summary of the average compound features in each manually curated dataset

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

Feature

MDCK

LLC-PK1

RRCK

Papp

12.19

(0.00–105.00)

15.43

(0.50–75.20)

11.64

(0.10–53.00)

MW

426.31

(208.26–1001.15)

448.86

(259.35–612.88)

418.88

(216.22–1202.64)

ClogP

3.39

(− 0.49 to 8.50)

3.86

(− 0.54 to 7.35)

2.87

(− 3.61 to 5.56)

  1. MW and logP calculated by RDKit (ClogP) were calculated using unique compounds in each dataset
  2. The values in parentheses represent the minimum and maximum values