Conference
IEEE HPEC 2025 — Hybrid models for QSAR biodegradability
Boston, MA, USA
Presented at IEEE HPEC 2025. QSAR biodegradability prediction has the same shape as the problems we work on in energy: high-dimensional descriptors, very few labelled compounds, and an expensive ground truth.
That structural similarity is deliberate. If the small-data advantage we keep observing is real, it should transfer across domains that share those properties — and if it does not transfer, then it was probably an artefact of our energy datasets all along. Testing it somewhere unfamiliar is the point.