DILIsym integrates biological pathways, in vitro data, and clinical context to predict and explain drug-induced liver injury (DILI) with mechanistic clarity, reducing reliance on animal testing and improving translational confidence.

With DILIsym, you can:

  • Assess DILI risk before clinical exposure 
  • Investigate and explain observed liver enzyme elevations 
  • Quantify relationships between dose, exposure, and liver injury risk 
  • Evaluate variability across patient populations and susceptibility factors 
  • Differentiate lead candidates based on mechanistic safety profiles 
  • Test mitigation strategies and alternative dosing scenarios 
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Predict and mitigate
liver safety risk
The Venn diagram on DILI risks integrates GastroPlus, PKPlus & KIWI insights and data

Late-stage liver safety findings can delay programs, restrict dosing, or halt development.

With DILIsym®, you can assess DILI risk at any point in the development pipeline, whether you’re de-risking a compound before undertaking a costly clinical trial, or understanding the mechanisms behind observed DILI responses in the clinic. This enables you to make informed choices about dosing, trial design, and critical go/no-go decisions and transforms safety from a late-stage checkpoint into a model-informed, proactive discipline

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See how others are advancing liver safety

DILIsym directly supports the scientific and regulatory goals of new approach methodologies (NAMs) and is the most widely used quantitative systems toxicology (QST) platform for DILI prediction. It has been used to support regulatory submissions for 38 compounds, and is utilized as a source of QST-based evidence review by the FDA’s DILI team.

How Astellas used DILIsym QST
modeling to progress fezolinetant
to Phase 3 and beyond
Read More
How DILIsym supported current
treatment guidelines for overdoses of an
extended-release acetaminophen formulation
Read More
How Biohaven used DILIsym QST
modeling to support liver safety and
gain regulatory approval
Read More

Gain mechanistic insight
for liver safety decisions

DILIsym connects data across discovery, preclinical, and clinical stages to create a unified understanding of liver safety.

  • Evaluate hepatotoxicity risk before clinical signal emerges 
  • Investigate observed liver enzyme elevations using mechanistic hypothesis testing 
  • Quantify dose-response relationships for liver injury risk 
  • Explore patient variability and susceptibility factors 
  • Assess the impact of co-medications, disease states, and exposure scenarios 
  • In vitro hepatotoxicity assays 
  • Preclinical safety findings 
  • Clinical PK and exposure data 
  • Mechanistic pathways including, but not limited to: 
    • Mitochondrial dysfunction 
    • Bile acid transport inhibition 
    • Oxidative stress 
    • Immune-mediated pathways 

This allows scientists to test competing hypotheses and simulate outcomes with clarity and confidence. 

You can use DILIsym as part of your organization’s complete drug development lifecycle—from discovery with ADMET Predictor®, through development with GastroPlus® and MonolixSuite, and into clinical operations with Pro-ficiency®.

Evaluate liver safety across diverse clinical scenarios
A smiling man in a lab coat stands confidently, representing Simulations Plus QSP and PBPK expertise.

Resources
Training
Training

Instructor-led and on-demand courses to build your QSP modeling expertise

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Peer reviewed publications
Peer reviewed publications

Scientific publications covering validated research and practical software applications.

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Webinars and Events
Webinars and Events

Join live webinars and events featuring experts and real-world use cases

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DILI-sim Initiative

DILIsym development is supported by a pre-competitive consortium, the DILI-sim Initiative, that includes Simulations Plus, academic partners, and leading pharmaceutical companies. Member companies have a seat at the table in directing development efforts and provide regular feedback to the DILIsym development team, ensuring continuous advancement grounded in real-world challenges and shared scientific insight.

Venn diagram showing Exposure, DILI Mechanisms, and Inter-Patient Variability with DILIsym, ADMET Predictor, PK/PD modeling, lab equipment, and scientific graphs in the background.