The choices that make a model useful
Chemical judgment enters a model before the result appears. This issue follows the choices that make that result worth using.
The choices that make a model useful
Published 26 September 2026. A weekly selection of source-backed research.
From the editor
Research reviews
A better optimizer needs a trustworthy test
RECOB puts algorithm rankings through two different checks—and shows why a stable virtual winner is only part of the evidence for a laboratory choice.
Letting a molecular generator choose its own size
A compact latent model generates molecules of varying size. Its careful separation of reconstruction, refinement and quantum-verified selection shows where the useful candidates come from.
Teaching a force field where water meets metal
SoLiD26 improves predicted atomic forces at solid-liquid interfaces. Its larger-cell test, curation choices and raw-force handling explain what that improvement establishes.
A molecular glue earns its shape in the cell
VAV1 degraders connect a predicted protein interface to chemical changes and cellular measurements—and show why better degradation can change the selectivity question.
What a receptor-state model learns about a drug
DSQ improves agonist bioactivity prediction by giving its neural network two receptor states. Its assays, ablations and transfer tests explain what that advance means.