Table 5 Enriched pathways from GSEA on attributed saliency scores.

From: Drug discovery and mechanism prediction with explainable graph neural networks

Drug

Term

ES

NES

Afatinib

HALLMARK_KRAS_SIGNALING_UP

356.8

0.7

HALLMARK_EPITHELIAL_MESENCHYMAL_TRANSITION

350.5

0.68

HALLMARK_INFLAMMATORY_RESPONSE

316.08

0.62

HALLMARK_ALLOGRAFT_REJECTION

268.76

0.52

HALLMARK_APICAL_JUNCTION

268.5

0.52

Imatinib

HALLMARK_EPITHELIAL_MESENCHYMAL_TRANSITION

343.83

0.73

HALLMARK_KRAS_SIGNALING_UP

298.37

0.63

HALLMARK_APICAL_JUNCTION

289.58

0.62

HALLMARK_MYOGENESIS

282.84

0.6

HALLMARK_TNFA_SIGNALING_VIA_NFKB

280.9

0.6

Sunitinib

HALLMARK_EPITHELIAL_MESENCHYMAL_TRANSITION

345.81

0.73

HALLMARK_KRAS_SIGNALING_UP

307.34

0.65

HALLMARK_APICAL_JUNCTION

290.69

0.61

HALLMARK_TNFA_SIGNALING_VIA_NFKB

277.54

0.59

HALLMARK_UV_RESPONSE_DN

264.91

0.56