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"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"
]
}
|