Optimizing Hit Finding: Balancing Physics-Based and Machine Learning Scoring Approaches

Oct 29, 2026
Discovery Chemistry

• Explore how AI models help identify potential safety risks earlier in the drug discovery process.
• Examine advances in predictive modeling for assessing compound liabilities alongside potency and developability.
• Discuss how integrating safety insights earlier in molecular design can reduce late-stage attrition and improve candidate quality.

Speakers
Lingling Shen
Lingling Shen, Senior Director of Computational Chemistry & Chemoinformatics - Eli Lilly