LLM Agents for Liver Injury Risk Prediction and Medicinal Chemistry Decision Support

Liver toxicity can emerge late in drug development when early assays fail to capture human biology, exposure or injury mechanisms. This webinar introduces Axiom’s hepatic profiling approach, combining multicellular liver systems, high-content imaging, transcriptomics, proteomics and ADME measurements. Its reasoning agent integrates those results with partner assays, chemical-series context, exposure estimates and clinical evidence to assess mechanistic liver-safety risks. Rather than using a single cell-toxicity score, the approach develops interpretable, series-specific structure–toxicity hypotheses, compares analogues, ranks compounds and suggests follow-up experiments or structural changes. Performance on established liver-injury reference compounds and newer molecules is examined through case studies, showing how multimodal evidence can inform medicinal-chemistry decisions and predicted therapeutic index.