@derekvtilborg.bsky.social
We just preprinted a fresh study on molecular machine learning on OOD molecules 🧠
Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns!
doi.org/10.26434/che...
#AI #chemistry
Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns!
doi.org/10.26434/che...
#AI #chemistry
March 17, 2025 at 2:52 PM
We just preprinted a fresh study on molecular machine learning on OOD molecules 🧠
Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns!
doi.org/10.26434/che...
#AI #chemistry
Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns!
doi.org/10.26434/che...
#AI #chemistry