Mapping the avoid-ome: a systematic open-science approach to predictive ADMET.
Where this comes from
- Record sourced from PubMed, PMID 42185284.
- Also identified by DOI 10.1038/s41467-026-73410-8 and PMC identifier 13201627.
- Licence recorded as CC BY-NC-ND.
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Abstract
Drug discovery often fails due to unpredictable ADMET issues, which account for 30% of clinical setbacks. Conventional methods lack the atomistic detail needed to navigate the "Avoid-ome"-a finite set of proteins acting as "anti-targets". OpenADMET is an open-science initiative addressing this by creating pre-competitive, mechanistic datasets. Using high-throughput structural biology, active learning, and community challenges, it builds generalizable models grounded in structural "ground truth". By directly studying the Avoid-ome, OpenADMET facilitates an era of rational, multi-parameter drug design.
Medical subject headings
- Drug Discovery
- Drug Design
- Proteins