The OpenADMET PXR competition is over. Participants were trying to predict if drugs get metabolized by PXR. Some findings:
1. Best activity model used no structural information, despite trying 2. Best predicted structure method did consensus sampling over 4 co-folding models
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The results: https://openadmet.ghost.io/its-the-end-of-the-pxr-challenge-as-we-know-it-and-i-feel-fine/?ref=openadmet-newsletter
The OpenADMET PXR competition is over. Participants were trying to predict if drugs get metabolized by PXR. Some findings:
1. Best activity model used no structural information, despite trying 2. Best predicted structure method did consensus sampling over 4 co-folding models
