{ "exclusions": [ { "feature": "aroma_chemicals.openpom_embedding", "reason": "no provenance field or real model asset; implementation generates 128-bit Morgan plus 10 physicochemical descriptors" } ], "frozen_at": "2026-07-17T05:12:56.027886+00:00", "frozen_method": { "folds": "five deterministic grouped folds; CAS and formula families may not cross folds", "metrics": "Spearman rho/MAE for continuous; macro-F1/AUROC for categorical", "missing_values": "exclude a row from all representations if any preregistered input is missing", "probe": "standardized ridge regression for continuous targets; logistic ridge for categorical targets", "row_policy": "complete-case intersection per task, fixed before representation access", "selection": "regularization selected by nested CV using training folds only", "uncertainty": "paired fold deltas with percentile bootstrap 95% CI" }, "representations": { "morgan": { "available": true, "definition": "RDKit Morgan radius=2" }, "pom_plus_physics": { "available": false, "definition": "real_pom concatenated with preregistered physical features" }, "real_pom": { "available": false, "definition": "independently loaded pretrained POM model output" } }, "results": null, "schema_version": 1, "status": "blocked_missing_real_pom", "tasks": [ "descriptor", "odor_threshold", "substantivity", "substitution" ] }