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. Author manuscript; available in PMC: 2024 Sep 1.
Published in final edited form as: Food Chem Toxicol. 2023 Jul 17;179:113948. doi: 10.1016/j.fct.2023.113948

Table 1.

Selected liist of software for hepatotoxicity or relevant endpoint prediction

Name Endpoint License type Prediction models available at
ADMET predictor Elevation of DILI biomarkers
(ALP, AST, LDH)
Commercial software (GUI* program)
Derek Nexus Severity of DILI Commercial software (GUI* program)
VEGA Hepatotoxicity (Positive/Unknown/Negative) Freeware (GUI program) https://www.vegahub.eu/portfolio-item/vega-qsar/
Liver NOAEL and LOAEL
Hepatic steatosis MIEs (PXR/PPARα/PPARγ/NRF2)
ProTox–II Hepatotoxicity classification (Positive/Negative) Freeware (Web program) https://tox-new.charite.de/protox_II/
Nrf2/ARE classification
Mitochondrial membrane potential classification
ToxSTAR Binary classification of DILI indications (Cholestasis, Cirrhosis, Hepatitis, and Steatosis) Freeware (Web program) https://toxstar.kitox.re.kr/
admetSAR Hepatotoxicity classification Freeware (Web program) http://lmmd.ecust.edu.cn/admetsar2
BSEP inhibition
Mitochondrial toxicity
*

GUI: Graphical User Interface