San Francisco
Small Molecules Drug Discovery Agenda

March 2, 2026

*** On mobile devices , use left and right swipe gestures to view whole agenda 

Time Session Target Selection & Validation Hit Identification Lead Optimization Early ADME/Tox AI in Drug Discovery
8:00 – 8:30 Registration & Welcome Coffee
8:30 – 9:00
Welcome & Keynote Presentation
Next-Gen Small Molecule Innovation: Unlocking Complex Targets with Confidence
Breakout Sessions
9:05 – 10:05 Session 1
Target Selection & Validation
Overcoming the challenge of targeting protein-protein interactions in undruggable space
Hit Identification
Improving hit rates: Emerging strategies in fragment-based and DNA-encoded library screening
Lead Optimization
Striking the balance between potency, solubility, and metabolic stability
Early ADME/Tox in Drug Discovery
Predicting human pharmacokinetics earlier: Reducing late-stage failures
AI in Drug Discovery
Data quality crisis: Why AI models fail without clean, structured chemistry data
Moderator
10:10 – 10:40 Sponsor 1:1 Sessions / Peer-to-Peer Networking
10:40 – 11:10 Sponsor 1:1 Sessions / Peer-to-Peer Networking
11:10 – 11:20 Refreshment Break
11:20 – 12:20 Session 2
Target Selection & Validation
Using omics and CRISPR tools to validate high-confidence small molecule targets
Hit Discovery
Integrating AI/ML with HTS platforms to accelerate hit identification
Lead Optimization
Predicting and managing off-target effects during lead optimization
Early ADME/Tox in Drug Discovery
Metabolism & stability challenges: Designing molecules that survive the body
AI in Drug Discovery
AI for de novo design: Overcoming the gap between generated molecules and synthesizable reality
Moderator
12:20 – 13:20 Lunch
13:25 – 13:55
Spotlight Presentation
Discovery of a First-in-Class Oral Inhibitor for a CNS Target
14:00 – 14:30 Sponsor 1:1 Sessions / Peer-to-Peer Networking
14:30 – 15:00 Sponsor 1:1 Sessions / Peer-to-Peer Networking
15:00 – 15:10 Refreshment Break
15:10 – 15:40 Session 3
Case Study - Target Selection & Validation
Leveraging single-cell transcriptomics for target identification in oncology
Case Study - Hit Discovery
Miniaturized assays for ultra-high-throughput fragment screening
Case Study - Lead Optimization
Physicochemical profiling and optimization for oral bioavailability
Case Study - Early ADME/Tox
Early safety flags: Identifying hERG, off-targets, and cytotoxicity before it's too late
AI in Drug Discovery
Closing the loop: Challenges in building autonomous, AI-driven discovery pipelines
Moderator
15:45 – 16:45 Session 4
Target Selection & Validation
Leveraging single-cell transcriptomics for target identification in oncology
Hit Discovery
Miniaturized assays for ultra-high-throughput fragment screening
Lead Optimization
Physicochemical profiling and optimization for oral bioavailability
Early ADME/Tox in Drug Discovery
Bridging the translation gap: Connecting in vitro potency to in vivo efficacy
AI in Drug Discovery
Trust & interpretability: Making AI predictions actionable for chemists
Moderator
16:45 – 17:45 Evening Networking Reception

Latest News.