{"paper":{"title":"Budget-Constrained Compound Library Prioritization with Risk Awareness and Uncertainty Quantification","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"q-bio.QM","authors_text":"Shengyao Liang","submitted_at":"2026-06-25T05:39:11Z","abstract_excerpt":"Early discovery projects often face a budgeted prioritization problem: many structures can be enumerated or purchased, but only a small fraction can be tested, reviewed, or synthesized first. I formulate this setting as risk-aware compound-library compression. Given a molecular library and a fixed Top-k budget, the goal is to return an enriched candidate subset while preserving uncertainty, applicability-domain evidence, ADMET/structural alerts, and audit fields needed for human review. The framework intentionally uses a transparent 2D activity proxy rather than a complex representation model,"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.26624","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.26624/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}