Integrated AI for GPCR Drug Discovery: Advances in NeuralPLexer & Enchant
9:30 am - Tuesday 2nd March 2027
- Exploring the complementary roles of NeuralPLexer and Enchant to combine proteinligand structural modeling with multimodal property prediction in GPCR drug discovery
- Applying predictions, uncertainty estimates and experimental feedback across the design-make-test-analyze cycle to prioritize compounds and experiments while balancing potency, selectivity and ADME properties
- Sharing lessons learned from connecting AI-guided design with experimental pharmacology and iterative compound optimization to support GPCR discovery programs
