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Table 2 Prediction of skin sensitization potential for 6 FDA approved drugs that have side effect of allergic dermatitis reported in MetaADEDB database

From: Modeling skin sensitization potential of mechanistically hard-to-be-classified aniline and phenol compounds with quantum mechanistic properties

 

DrugBank ID

Name

P

Predictiona

MetaADEDBb

1

DB00279

Liothyronine

-0.001

N

Y

2

DB01407

Clenbuterol

0.589

Y

Y

3

DB00250

Dapsone

0.700

Y

Y

4

DB00295

Morphine

0.580

Y

Y

5

DB00327

Hydromorphone

0.595

Y

Y

6

DB00481

Raloxifene

0.977

Y

Y

  1. aA drug is predicted as an sensitizer if its P value is greater than 0.50; Otherwise, as a non-sensitizer. bCompounds having the keywords “allergic dermatitis” in their side effect reports in the MetaADEDB database are indicated as sensitizers. Y: Sensitizer; N: Non-sensitizer.