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Table 4 DILI-related significant structural alerts (p-value ≤0.05) with the highest precision and coverage (%)

From: Prediction and mechanistic analysis of drug-induced liver injury (DILI) based on chemical structure

Source Substructure Name Precision Coverage (%) p-value Presence in DrugBank DrugBank compound with SA
Liu, SARpy, MoSS Hydrazine derivative (NN) 1 7.47 0.00001 37 testosterone enantate benzilic acid hydrazone
MoSS Hydrazine derivative (N(−N)-C) 1 6.32 0.00009 33 testosterone enantate benzilic acid hydrazone
SARpy Furan derivative (c1ccco1) 1 5.75 0,0002 19 diloxanide furoate
  1. The following quality metrics are shown for the best substructures from MoSS, SARpy, and Liu et al. (2015): Precision, coverage in DILI positive compounds (%), p-value, as well as the number of approved compounds in Drugbank [44] which contain the substructure, alongside an example of such a structure