Conference Day Two, Thursday September 4, 2025
8.00 Check-In & Light Breakfast
8:55 am Chair’s Opening Remarks
Introducing Novel Technologies to Extract Quality Candidates for Smarter Hit Finding
9:00 am Scaling Up the ROSALIND Platform for Oligonucleotide Hot Spot Detection
Synopsis
- Advancing oligonucleotide therapeutics to experimentally identify hot spots in relevant primary or immortalized cell lines
- Enabling discovery tissue selectivity by profiling across various cell types
- Gaining insights into sensitive, specific, and highly scalable technology to generate AI/ML training data
9:30 am Session TBC
10.00 Morning Refreshments & Networking
10:45 am Deploying In Silico & In Vitro Screening Approaches to Identify Novel Drug- Like Matter
Synopsis
- Achieving a combination of computational techniques and wet lab automation to generate high-quality hits faster
- Curating focused libraries based on fragments, diversity, and therapeutic areas to expand hits
- Delivering rigorous validation and profiling of hits with Ulysses to effectively prioritize leads
11:15 am Roundtable Discussion: Tackling Industry-Wide Challenges with Hard-to-Drug Targets for Future Hit ID Strategies
Synopsis
- Understanding how new target classes would require rethinking both screening methods and library composition
- Formulating a strategy to inform how disease context influences hit finding opportunities
- Questioning how to prioritize different target classes based on stability and mechanism of action
12.15 Lunch & Networking
Driving Induced Proximity to Enable Breakthroughs for Molecular Glue Discovery
1:15 pm Two Birds with One Stone: Accelerating Target & Hit ID of Ligand-Target Sets with Proximity-Based Proteomics
Synopsis
- Identifying chemical matter and neosubstrates that can move towards molecular glue discovery
- Expanding both target and hit strategies to engage E2 enzymes using proximity-based proteomics
- Applying proximity-dependent biotinylation techniques using enzyme tags and probes to selectively label proteins in close proximity to endogenously expressed targets
1:45 pm Revolutionizing Molecular Glue Hits: Widening Screening Strategies Across Various Pair Interactions
Synopsis
- Overcoming long-standing barriers to screening for molecular glues in drug discovery
- Leveraging A-Alpha Bio’s platform to influence the types of screening approaches used for different kinds of pairs and strengths of interaction
- Promoting 3D screening of vast effector-target-glue combinations to achieve millions of interactions
2.15 Afternoon Refreshments & Networking
Harnessing Computational Tools to Enable Large-Scale Screening for Maximized Hit Capabilities
2:45 pm Leveraging ML & Chemometrics for Small Molecule Hit ID & Triaging
Synopsis
- Facilitating HTS hit prioritization and triaging by integrating chemical clustering, predictive ML models, promiscuity profiling, and library enumeration
- Developing a user-centric, data-driven triaging platform that empowers chemists to prioritize chemical series in the hit ID stage with traceable decision-making
- Employing interactive visualization and reporting tools featuring cluster-level promiscuity analysis and a traffic light alert system to flag off-targets and liabilities
3:15 pm Proteases & Beyond: Enhancing Allosteric Site Screening Using 3D/AI-CPU/ GPU Framework
Synopsis
- Overcoming challenges with discovering selective inhibitors for transient allosteric and PPI pockets
- Utilizing advanced data integration and large-scale screening to identify potential candidates
- Introducing a cloud-based CPU/GPU framework that supports in silico optimization