Small molecule therapies dominate disease treatment globally, but their unpredictable ADMET properties complicate drug development. OpenADMET addresses this through three integrated strategies: systematically characterizing proteins and mechanisms through structural and functional assays, exploring how molecules interact with biological systems via high-throughput chemistry, and developing AI/ML computational models to integrate findings.

A key part of our approach is community blind challenges, inspired by the CASP challenge that ultimately enabled AlphaFold's breakthrough. These challenges benchmark current capabilities and identify where the field still has room to grow.