| 4:00–8:00 PM | Registration | Ballroom Foyer |
| 6:00–8:00 PM | Welcome Mixer | Ballroom Foyer |
| 7:30–8:30 AM | Breakfast | Individual Hotel |
| 8:00–8:30 AM | Poster Setup | Ballroom 2 |
| 8:00–8:30 AM | Coffee Available | Ballroom Foyer |
| 8:15–5:00 PM | Poster Viewing | Ballroom 2 |
| 8:30–8:40 AM | Welcome Remarks | Ballroom 1 |
| 8:40–9:30 AM | Keynote Address | Ballroom 1 |
| Simon Richards, Isomorphic Labs Development and Application of an AI-First Drug Design Platform at Isomorphic Labs |
| 9:30–11:45 AM | Computation Methods in Structure-Based Small Molecule Design | Ballroom 1 |
| Christina Schindler, Merck KGaA Computational Drug Design across Different Modalities |
| Richard Bonneau, Genentech Avoiding Funnels: Using Active Learning and Generative AI to Drive Drug Discovery |
| Heidi Koldsoe, Antares Therapeutics Drugging the Undruggable: Leveraging Computational Techniques to Drive Compound Design |
| Peter Coveney †, University College London Short Talk: Discovery of a Nanomolar Active Molecule Using an Integrated Workflow Comprising AI, Physics and Experiment |
| 10:00–10:20 AM | Coffee Break | Ballroom Foyer |
| 11:45–12:45 PM | Lunch | Ballroom 2 |
| 12:30–2:30 PM | Poster Session 1 | Ballroom 2 |
| 2:30–4:30 PM | Symposia Spotlight | Ballroom 1 |
| Benoit Lehallier †, Alkahest Scalable Drug Discovery and Disease Interception by Unlocking Preclinical Molecular Signals from 100 Million Longitudinal Plasma Samples |
| Bar Makovoz †, Cellular Intelligence Predictive Modeling of Context-Dependent Cell Signaling Enables Rational Pluripotent Stem Cell-Based Disease Models |
| Artem Ashurov †, University Hospital of Cologne Structure-guided Targeting of CMV for Synergistic Neutralization |
| Adam Pecina †, IOCB Prague Fast and Reliable Quantum Mechanical Scoring for Protein-Ligand Affinity Prediction in Structure-Based Drug Design |
| Lewis Mervin †, Apheris Federated Training of Multi-Task ADMET Models Across Distributed Pharmaceutical Data |
| Chinmaya Joisa †, UNC Chapel Hill Integrating Drug-Target Profiling and Network Diffusion for Generalizable Prediction of Kinase Inhibitor Response in Patient-Derived Xenografts |
| 4:30–5:00 PM | Coffee Available | Ballroom Foyer |
| 5:00–7:00 PM | Computational Methods in Protein Therapeutic Design | Ballroom 1 |
| Amer-Denis Akkad, Absci Harnessing Generative AI to Creation and Development of ABS-201: A Novel Anti-PRLR Antibody for Androgenic Alopecia |
| Bingxu Liu, University of Washington Peptide-MHCI (pMHCI) Binder Design |
| Sebastian Kelm, UCB Pharma in silico Antibody Design |
| Giuseppe Maccari †, Fondazione Biotecnopolo di Siena Short Talk: Generative Control of Antibody Dynamics: Fine-Tuning ProteinMPNN for Flexibility-Guided In Silico Maturation |
| Christina Christodoulou †, University College London Short Talk: Does Disorder Drive Barrier Crossing? Predicting Peptide Penetration from Disorder Features |
| 7:00–8:00 PM | On Own for Dinner |
| 7:30–8:30 AM | Breakfast | Individual Hotel |
| 8:00–8:30 AM | Poster Setup | Ballroom 2 |
| 8:00–8:30 AM | Coffee Available | Ballroom Foyer |
| 8:15–5:00 PM | Poster Viewing | Ballroom 2 |
| 8:30–11:30 AM | AI-based Acceleration of Multi-Omics Advances in Cell Biology | Ballroom 1 |
| Daniel J. Anderson, Eikon Therapeutics Single Molecule Tracking in Drug Discovery and Systems Biology |
| Alexander Hillisch, UCB BioSciences GmbH Holistic De Novo Drug Design at UCB |
| Ben Lehner, Wellcome Sanger Institute Complete Allosteric Maps for Drug Discovery |
| Parashar Dhapola †, Nygen Analytics AB Short Talk: Multi-Agent AI Enables Evidence-Based Cell Type Annotation for Drug Discovery |
| Alyssa Rosenbloom †, Nomic Bio Short Talk: Large-Scale Proteomics for AI/ML applications: insights from quantifying 1,000 proteins in 20,000 samples |
| 9:30–9:50 AM | Coffee Break | Ballroom Foyer |
| 9:50–9:55 AM | Award Recipient Acknowledgement | Ballroom 1 |
| 11:30–12:30 PM | Lunch | Ballroom 2 |
| 12:30–2:30 PM | Poster Session 2 | Ballroom 2 |
| 3:30–4:30 PM | Career Roundtable | Ballroom 1 |
| 4:30–5:00 PM | Coffee Available | Ballroom Foyer |
| 5:00–7:00 PM | Advances in Predictive Toxicology Methods | Ballroom 1 |
| Blanca Rodriguez, University of Oxford Digital Twins and In Silico Clinical Trials for Drug Discovery |
| Friedemann Schmidt, Sanofi Decoding Toxicology: Computational Frameworks for Next-Generation Predictive Safety |
| Henrik Renner, Evotec SE Human iPSC High-throughput Screening for Teratogenicity Hazard Identification |
| Steven Jerome †, Schrodinger Short Talk: Predictive Toxicology: A Physics-Based Cloud Workflow for Mitigating Off-Target Liabilities |
| Ashkan Golshani †, Carleton University Short Talk: Off-Target–Aware AI Platform for Peptide Drug Discovery and Its Application to Heparin-Induced Thrombocytopenia |
| 7:00–8:00 PM | On Own for Dinner |
| 7:30–8:30 AM | Breakfast | Individual Hotel |
| 8:00–8:30 AM | Coffee Available | Ballroom Foyer |
| 8:30–11:30 AM | Machine Learning Applications in Translational Science | Ballroom 1 |
| Tali Raveh-Sadka, Immunai Identification of High Confidence Candidate Markers for Macrophage Infiltrating Tumor Microenvironment Through Single Cell Genomic Atlases |
| Bissan Al-Lazikani, University of Texas MD Anderson Cancer Center The Kinase Polypharmacology Landscape of Clinical PARP Inhibitors |
| Gayle Wittenberg, Janssen R&D, LLC A Multimodal Digital Biomarker of Functional Deficits in Early‐Stage Alzheimer’s Disease |
| Kgabe Ronald Molepo, University of Cape Town Short Talk: Interpretable Graph Neural Networks for Learning Drug–Gene Relationships and Inferring Phenotype Outcomes in Pharmacogenomics |
| Artem Sokolov †, Etiome Short Talk: Temporal Biodynamics: An AI Platform for Stage-Relevant Target Identification in Chronic Disease Progression |
| 9:30–9:50 AM | Coffee Break | Ballroom Foyer |
| 11:30–12:30 PM | Lunch | Ballroom 2 |
| 2:30–4:30 PM | Panel: Opportunities and Challenges in Computational Drug Discovery and Development? | Ballroom 1 |
| * Karen Akinsanya, Schrödinger |
| Najat Khan, Recursion Pharmaceuticals |
| Alexander Hillisch, UCB BioSciences GmbH |
| Richard Bonneau, Genentech |
| Sharon Benzeno, Adaptive Biotechnologies |
| 4:30–5:00 PM | Coffee Available | Ballroom Foyer |
| 5:00–6:45 PM | AI Application in Global Health Drug Discovery | Ballroom 1 |
| Jonathan E Gable, Novartis Biomedical Research Diverse Application of AI in Drug Discovery at Novartis |
| Xiaoying Lv, Global Health Drug Discovery Institute Generative AI-Enabled Hit identification & Lead Optimization in Early Drug Discovery |
| Fehintoluwa J Femi-Olabisi †, Mountain Top University Short Talk: Molecular insights into the anti-diabetic activity of ethanol fractions of Cocos nucifera (Coconut) husk on Gestational Diabetes: an in silico study |
| Deeksha Tripathi †, Central University of Rajasthan Short Talk: Disrupting the Mycobacterium tuberculosis Protein Tyrosine Kinase A and Protein tyrosine Phosphatase B Virulence Network: Integrated Computational and Experimental Identification of Novel Pyridine and Diazepane Derivatives as Potent Inhibitors |
| 6:45–7:00 PM | Meeting Wrap-Up: Outcomes and Future Directions (Organizers) | Ballroom 1 |
| 7:00–8:00 PM | On Own for Dinner |
| 12:00–11:59 PM | Departure |