Publications
Publications from the OpenADMET community.
Featured Publication
May 25, 2026 · Nature Communications
Mapping the avoid-ome: a systematic open-science approach to predictive ADMET
A Perspective introducing the "Avoid-ome" — a finite set of anti-target proteins driving drug safety liabilities — and how OpenADMET combines high-throughput structural biology, active learning, and community challenges to build mechanistically grounded predictive models.
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Publication
Blind Challenges Let Us See the Path Forward for Predictive Models
PubMed Central
View PublicationThe Avoidome
Publication
Mapping the avoid-ome: a systematic open-science approach to predictive ADMET
Nature Communications
View PublicationASAP Challenge
Preprint
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
ChemRxiv
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Experiments with Data-Augmented Modeling of ADME and Potency Endpoints in the ASAP-Polaris-OpenADMET Antiviral Challenge
ChemRxiv
View PublicationPreprint
Deep Learning vs Classical Methods in Potency & ADME Prediction: Insights from the Polaris Antiviral Challenge
ChemRxiv
View PublicationPreprint
Fingerprint-Based Machine Learning for SARS-CoV-2 and MERS-CoV Mpro Inhibition: Highlighting the Potential of Bayesian Neural Networks
ChemRxiv
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Robust Prediction of Protein-Ligand Binding Potency with Multi-modal Customized Gate Control
ACS JCIM
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Deep-Learning vs Physics-Based Docking Tools for Future Coronavirus Pandemics
ACS JCIM
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