Recent Advances in Predicting Drug-Induced Liver Injury (DILI): New Capabilities and SimPops in DILIsym (DS11) and Machine Learning ADMET Predictor Supported Toxicity Parameters

Authors: Siler SQ
Conference: SOT
Keywords: admet predictor, DILIsym, drug induced liver injury (DILI), drug toxicity, SimPops
Software: ADMET Predictor®, DILIsym®
Division: Cheminformatics, Quantitative Systems Pharmacology (QSP)

Sumary

DILIsym

  • Mechanistic, mathematical quantitative systems toxicology (QST) model
  • Constructed to support pharmaceutical risk assessment and decision making

Clinical Application

  • DILIsym has been applied to support decisions related to compound DILI risk throughout the clinical development pipeline
  • Projects executed with 55+ companies
  • DILIsym simulation results have been included in numerous communications with regulatory agencies

Preclinical Application

  • Liver Safety+ recently made available
  • Provides efficient evaluation of DILI risk for preclinical compounds
  • Machine learning utilized to generate key parameters based on compound structure, a la QSAR

DILIsym support enabled via multiple routes

  • Simulations Plus services projects
  • Direct license of DILIsym
  • DILI-sim Consortium membership Liver Safety+

By Scott Q Siler

SOT 64th Annual Meeting and ToxExpo, March 16-20, 2025, Orlando, Florida