The PXR blind challenge wraps up with winners named and a public dataset of more than 11,000 compounds.
By Jon Swain, Maria Castellanos and Hugo MacDermott-Opeskin. Read the full post on the OpenADMET blog.
News
It's the End of the PXR Challenge as We Know It (and I feel fine)
The Tortured Proteins Department, Episode 15
Episode 15: Daylight
We chat about the conformational ensembles conference, NIH-proposed policy changes, 4! preprints, & running.
NIH News:
- OMB Proposal
- Blog Post Summary on OMB Proposal
- RFI to Cap the Number of Simultaneous Research Project Grants (NOT-OD-26-086)
- NIH Director’s Early Independence Award
Preprints:
Woah, we're halfway there...
Phase 1 data from the PXR challenge is unblinded, and the top ten on the interim leaderboard are statistically tied.
By Jon Swain, Maria Castellanos, Hugo MacDermott-Opeskin and Pat Walters. Read the full post on the OpenADMET blog.
Peak Performance or Just Noise?
Paired bootstrap comparisons show which gaps on a challenge leaderboard are real skill and which are noise.
By Jon Swain. Read the full post on the OpenADMET blog.
The Tortured Proteins Department, Episode 14
Episode 14: Mastermind
We chat about NIH strategic plan comments, AI lab guidelines, preprints on cryo-EM vitrification and automated image processing, and training scientists for the future.
NIH Strategic Plan Comments (Due 5/26):
Preprints:
- Cooling fast and slow: Characterising the effects of vitrification in cryo-EM and the subsequent recovery of equilibrium populations
- cryoAgent: An agentic workflow for robust and adaptive end-to-end cryo-EM image processing
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