AI and LQM-Driven Drug Discovery

Join Us for Our Next In-Person Event!
We are excited to invite you to our upcoming event, hosted at Schrödinger, featuring Andrea Bortolato from SandboxAQ. Andrea will present on AI and LQM-Driven Drug Discovery, showcasing transformative advancements in the field.
Structure-based methods have become the cornerstone of modern drug discovery, driving remarkable progress across the pharmaceutical industry. Recent breakthroughs in free energy binding prediction and the integration of generative AI are revolutionizing medicinal chemistry. As the industry continues to evolve, the need for innovative solutions to address complex challenges has never been more urgent.
Large Quantitative Models (LQMs) are at the forefront of this transformation, empowering researchers to navigate chemical space with unmatched speed, accuracy, and efficiency. Andrea's talk will highlight cutting-edge tools and approaches reshaping drug discovery, including:

1. Active Learning Absolute Free Energy Perturbation (AQFEP) for virtual screening
2. Alchemical Transfer Method (ATM) for estimating relative ligand binding free energies
3. IDOLpro, a novel generative AI platform that combines reverse diffusion models with multi-objective optimization
4. Knowledge Graph-Based Solutions, which leverage advanced data integration techniques to uncover novel insights

These innovative strategies represent a new frontier, enabling faster, more cost-efficient, and effective drug discovery.

A special thank you to Schrödinger for graciously hosting this event!
Event Details:

• Format: In-person only (no remote attendance or recordings).
• RSVP Deadline: December 2nd, 2024 (Due to building policies, late registrations may not be accommodated).

Thank you, and we look forward to seeing you there!