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Fantastic analysis from the OpenADMET team (Maria Castellanos, Hugo MacDermott-Opeskin) showing that the zero-shot ADMET models ADMETlab 3.0 and ADMET-AI generalize poorly to their recent OpenADMET-ExpansionRx Blind Challenge data openadmet.ghost.io/zero-shot-ex...
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Maria Castellanos Hugo MacDermott-Opeskin It’s been more than a month since the OpenADMET-ExpansionRx challenge wrapped up, but the conversation is just getting started. Launched on October 27, 2025...
openadmet.ghost.io
Lessons Learned from the OpenADMET-ExpansionRx Blind Challenge: Can We Trust Zero-Shot ADMET Predictions?
Anthony Gitter