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Table 4 The estimated binding energy (kcal/mol) of HIGs-drugs

From: Developing neural network diagnostic models and potential drugs based on novel identified immune-related biomarkers for celiac disease

Drugs

CCL25

MR1

TNFSF13B

Tetradioxin CTD 00006848

 − 5.6

 − 6.8

 − 6.62

CROTONALDEHYDE CTD 00000669

 − 3.03

–

–

DMBA CTD 00007046

–

 − 6.8

–

Demecolcine CTD 00005762

–

 − 5.94

 − 6.01

Cyclophosphamide CTD 00005734

–

 − 4.64

–

FENRETINIDE CTD 00007166

–

–

 − 6.56

diuron CTD 00005864

–

–

 − 5.4