Unlock hit discovery for DUST (Difficult, Unscreenable Systems & Targets) using SandboxAQ’s AI- and physics-driven Virtual Screening Platform.
Traditional high-throughput screening struggles to efficiently explore today’s vast chemical spaces, often requiring thousands to millions of assay measurements to find a small number of promising hits. SandboxAQ’s AQBioSim solution addresses this gap by combining AI, physics-based simulation, and biological context into an integrated, virtual screening workflow that can prioritize a small number of high-value compounds for testing while expanding accessible chemical space.
In this webinar, we will walk through how SandboxAQ’s end-to-end virtual screening workflow combines protein and library preparation, retrospective validation, and multi-modal screening (similarity, shape, pharmacophore, docking, FEP, and AI/ML methods) with active-learning and ADMET/developability filters. We will summarize hit rate statistics in multiple proprietary engagements (anonymized).
Key Topics Include:
- Understand the core building blocks of SandboxAQ’s virtual screening workflow—from target and library preparation through retrospective validation, protocol selection, and large-scale screening—and how these components integrate into existing discovery pipelines.
- Learn how combining physics-based simulations and AI/ML methods enables exploration of larger chemical spaces.
- Review outcomes across therapeutic areas and target classes where virtual screening campaigns delivered enriched hit lists.
- 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.
Presenters
Vice President, Drug Discovery
SandboxAQ
Production Partner
SandboxAQ
