OpenADMET is an open-science initiative to advance predictive modeling of ADMET properties (Absorption, Distribution, Metabolism, Excretion, and Toxicity). Small molecules remain a dominant drug modality due to their versatility and flexibility, but their development can be hindered by unpredictable ADMET behavior. OpenADMET aims to address this challenge at scale by integrating:
Experimental and structural biology: building understanding of anti-targets
High-throughput chemistry: Systematic exploration of chemical space
AI/ML modeling: Ligand-based, structural, mechanistic, and physiological models
We aim to drive innovation through open datasets, community challenges, and collaborative tools. Check out our website here or get in touch at [email protected].
OpenADMET is a growing consortium, currently involving OMSF, UCSF, Octant Inc, and MSKCC, with funding from ARPA-H, the Gates Foundation, Schrödinger, and the Astera Institute.