Unlock faster, higher-confidence hit discovery with SandboxAQ’s AI- and physics-driven Virtual Screening Platform.

Traditional high-throughput screening and first-generation in silico methods struggle to efficiently explore today’s vast chemical spaces, often requiring millions of physical assays to find a small number of promising hits. SandboxAQ’s AQBioSim platform and Large Quantitative Models (LQMs) address this gap by combining generative AI, physics-based simulation, and biological context into an integrated, end-to-end virtual screening workflow that can prioritize a small number of high-value compounds for testing while expanding accessible chemical space from millions to billions of candidates.

In this webinar, we will walk through how SandboxAQ’s virtual screening workflow combines protein and library preparation, retrospective validation, and multi-modal screening (shape, similarity, docking, ML-guided methods, and optional generative chemistry) with active-learning-driven enrichment and early ADMET/developability filters. You will see how this approach has delivered step-change improvements in hit rates, reduced false positives, and materially lowered experimental burden across real-world collaborations, including campaigns that achieved more than 20× expansion in ligands explored and over 30× improvement in hit rate versus traditional screening alone.

Key Topics:

• Understand the core building blocks of SandboxAQ’s virtual screening workflow—from target and library preparation through retrospective validation, protocol selection, large-scale screening, and iterative enrichment—and how these components integrate into existing discovery pipelines.


• Learn how combining quantum physics–enhanced simulations, LQMs, and multi-modal screening enables exploration of much larger chemical spaces, improves hit-identification efficiency, and reduces false positives compared with traditional docking-only approaches.


• Review concrete case studies across therapeutic areas and target classes (e.g., CNS, neurodegeneration, and GPCR programs) where virtual screening campaigns delivered enriched hit lists, higher hit rates, and faster progression from hit identification into hit-to-lead and lead optimization.


• Learn how to assess whether a program is a strong fit for SandboxAQ’s standard virtual screening service or should draw on SandboxAQ’s experience to develop a customized approach.