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).
Presenters
Andrea Bortolato
Andrea Bortolato brings over 20 years of experience in computational chemistry and drug discovery. He has worked in biotechnology, pharmaceuticals, and agrochemistry throughout his career, holding more than 50 scientific patents and publications, including three in Nature. Andrea holds a PhD in computational chemistry, earned in partnership between the University of Padua in Italy and the University of Geneva in Switzerland. He then completed a postdoctoral fellowship at Mount Sinai School of Medicine in New York City.
Sponsor
