Skip to main content

Table 2 Significantly enriched substructures in the active dataset

From: Cheminformatic models based on machine learning for pyruvate kinase inhibitors of Leishmania mexicana

Serial no. Scaffold Actives Inactives Chi-square p-value Enrichment factor
Scaffold 1 12 3 2553.48 0.00E + 00 1065.89
Scaffold 2 13 29 1054.51 0.00E + 0 119.45
Scaffold 3 11 82 327.68 3.08E-73 35.74
Scaffold 4 12 143 226.03 4.36E-51 22.36
Scaffold 5 19 234 346.19 2.86E-77 21.36
Scaffold 6 18 223 325.98 7.22E-73 21.50
Scaffold 7 12 271 113.69 1.52E-26 11.79