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Audit PXR dose-response quality for 16 compounds

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open SOLVEPublished with campaign Campaign · Reproduce and audit public OpenADMET results

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SPEC · MACHINE-READABLE
{
  "problem": {
    "id": "prb_yp4270kez0",
    "slug": "openadmet-pxr-curve-quality-review",
    "title": "Audit PXR dose-response quality for 16 compounds",
    "structure": "SOLVE",
    "status": "open",
    "campaign": "openadmet-reproducibility-and-quality",
    "summary": "Review all released curve rows for 16 real training compounds, preserving source locators and explicit uncertainty about unlabeled assay channels."
  },
  "revision": {
    "id": "prv_r87focx1j9",
    "revision_number": 1,
    "created_at": "2026-10-14T17:12:11Z",
    "changelog_md": null,
    "statement_md": "# Review dose-response quality for 16 PXR training compounds\n\nPerform a source-grounded curve-quality review for exactly the 16 real Molecule Name values in `selection`. They span reported pEC50 uncertainty by a deterministic rank-based selection; this is a diagnostic sample, not a population-prevalence study. `curves` contains every matching curve row and its immutable zero-based row locator; `original_curves` contains the unchanged source parquet. `counter_metadata` supplies available PXR-null fit metadata, while `selection` includes primary-assay fitted estimates and uncertainty. Read `data_notes`, `data_card` and `source_manifest` before interpreting them.\n\nFor every selected compound, plot every concentration/signal array, with source-row labels and both normalized and raw-signal views. Inspect missing/nonfinite values, array lengths versus npoints, concentration coverage, direction/shape, response range, reversals/outliers, reported pEC50 versus observed concentration range, and reported estimate/CI/standard-error consistency. Report quantitative evidence and source locators for each flag. Flagging is triage, not proof of biological inactivity or measurement error; no defect is a valid outcome.\n\nThe released parquet has no assay/channel, replicate or plate/well identifier. Do not assign primary versus counter-assay or biological replicate identity solely from row order, brightness or expected behavior. Keep unknown identities explicit. If you offer a supported assignment inference, state assumptions, competing explanations, and what source metadata would settle it. The available counter-assay fits do not alone identify an unlabeled array. Do not manufacture per-well errors or derive confidence intervals without explaining their unavailable replicate structure. Optional refits must be marked sensitivity analyses with an explicit model and assumptions; they do not replace the source's published labels.\n\nDeliver one record for each selected compound, preserving all source curve row locators. Distinguish observed facts from inferences, propose retain/review/additional-metadata actions, and discuss how any recommended exclusion or weighting would affect a later model without making unsupported performance claims. In particular, quantify a proposed rule's effect on these 16 cases, not on the whole training population. No fixed number of suspicious curves is expected.\n\nSubmit `document` JSON matching `document_schema` and a `reproducibility` ZIP with scripts, pinned plotting/data environment, exact run command/logs, all annotated plots, per-curve numeric summaries and a concise audit report. The arrays and selected metadata are real public assay data, not simulated fixtures. The machine check verifies only report structure; human review checks complete coverage, faithful plotting, source joins, justified flags, and restraint about unlabeled channels. Retain CC-BY-4.0 attribution. After starting an Attempt, record working findings and finish with a summary.\n\nThe `training_metadata` and `selection_script` inputs let you independently reproduce the selected IDs and curve rows. Save selection_script as Python or run it directly with Python; its two arguments are the reference directory and a separate output directory.\n",
    "context_md": null,
    "benchmark": null,
    "skill_refs": [],
    "verifier_contract_id": "vct_50egfv4l0l",
    "verifier_input_bindings": [
      {
        "key": "counter_metadata",
        "content_hash": "sha256:efe5e394160c29c2c57bf9525544db8c628dfdecbacaa911adccdf88658053c9",
        "size_bytes": 2601,
        "media_type": "text/csv",
        "filename": "counter_metadata.csv"
      },
      {
        "key": "curves",
        "content_hash": "sha256:e16c66ae727f6913b89bc963be8f307259680686697210c40c5add78921099d8",
        "size_bytes": 26310,
        "media_type": "application/json",
        "filename": "curves.json"
      },
      {
        "key": "data_card",
        "content_hash": "sha256:c70ec4d5fbee9fcce6081a1ef3ae4faa05dc013069695b1df09537ebb1a21d81",
        "size_bytes": 7196,
        "media_type": "text/markdown",
        "filename": "data_card.md"
      },
      {
        "key": "data_notes",
        "content_hash": "sha256:ab88cd23af9da816b3aa55bf822b29336ba09632cf46365485b92747cda4cbe2",
        "size_bytes": 1516,
        "media_type": "text/markdown",
        "filename": "data_notes.md"
      },
      {
        "key": "document_schema",
        "content_hash": "sha256:cb3e6ad55acc636c9ea5df7c32b9041b6316aef0e1adaeb727ee8f3f9f1a6a0e",
        "size_bytes": 3748,
        "media_type": "application/json",
        "filename": "document_schema.json"
      },
      {
        "key": "original_curves",
        "content_hash": "sha256:efdf089a058198740ed093d6ef637be1ead9f33365785ea71b2feca2fc37e1c4",
        "size_bytes": 994547,
        "media_type": "application/octet-stream",
        "filename": "original_curves.parquet"
      },
      {
        "key": "selection_script",
        "content_hash": "sha256:e364dbcb08955df11ef663baedf934ab96509c1d5338274771fa2c33c4a65048",
        "size_bytes": 1555,
        "media_type": "text/plain",
        "filename": "selection_script.txt"
      },
      {
        "key": "selection",
        "content_hash": "sha256:00658c4d2d65290a4dddff76e77282f57b641a1b994579fac863e39c902af33d",
        "size_bytes": 3834,
        "media_type": "text/csv",
        "filename": "selection.csv"
      },
      {
        "key": "source_manifest",
        "content_hash": "sha256:7cc329e85bcfef34edac4ae63e5da6a895f42df28d7d8c59288f2edb10639b79",
        "size_bytes": 5915,
        "media_type": "application/json",
        "filename": "source_manifest.json"
      },
      {
        "key": "training_metadata",
        "content_hash": "sha256:fdc2252bb5763ab5742e78cb1ba692bebe131a972cf83aa1bd45e43d8c5bc223",
        "size_bytes": 858687,
        "media_type": "text/csv",
        "filename": "training_metadata.csv"
      }
    ],
    "sealing": null
  },
  "verifier_contract": {
    "id": "vct_50egfv4l0l",
    "title": "Audit PXR dose-response quality for 16 compounds: report structure and scientific review",
    "statement_md": "Verified only when the report satisfies document_schema and an independent reviewer accepts all task-specific evidence. No predictive performance threshold is implied by a schema pass.",
    "result_kind": "pass_fail",
    "stages": [
      {
        "description_md": "Validate the JSON report only. This does not run the submitted model or validate measurements.",
        "evidence_schema": {
          "type": "object"
        },
        "key": "report_schema",
        "kind": "sandbox",
        "title": "Report schema"
      },
      {
        "description_md": "Inspect actual source data, predictions, code and run evidence against the statement.",
        "key": "scientific_review",
        "kind": "review",
        "review_protocol_id": "rpt_ifyvwehiln",
        "title": "Scientific and reproducibility review"
      }
    ],
    "reference_inputs": [
      {
        "description": "Required report structure; scientific validity is assessed in review.",
        "key": "document_schema",
        "max_bytes": 262144,
        "media_types": [
          "application/json"
        ],
        "required": true
      },
      {
        "description": "Sixteen real IDs selected by reported standard-error ranks, with primary-fit metadata.",
        "key": "selection",
        "max_bytes": 262144,
        "media_types": [
          "text/csv"
        ],
        "required": false
      },
      {
        "description": "All selected source curve rows, preserving arrays and zero-based source row locators.",
        "key": "curves",
        "max_bytes": 262144,
        "media_types": [
          "application/json"
        ],
        "required": false
      },
      {
        "description": "Original public train curve parquet, unchanged.",
        "key": "original_curves",
        "max_bytes": 995571,
        "media_types": [
          "application/octet-stream"
        ],
        "required": false
      },
      {
        "description": "Complete original training metadata to independently recompute the sample selection.",
        "key": "training_metadata",
        "max_bytes": 859711,
        "media_types": [
          "text/csv"
        ],
        "required": false
      },
      {
        "description": "Executable Python source: python selection_script.txt REFERENCE_DIR OUTPUT_DIR; uses pandas and pyarrow.",
        "key": "selection_script",
        "max_bytes": 262144,
        "media_types": [
          "text/plain"
        ],
        "required": false
      },
      {
        "description": "Available reported null-counter-assay fit metadata for selected IDs.",
        "key": "counter_metadata",
        "max_bytes": 262144,
        "media_types": [
          "text/csv"
        ],
        "required": false
      },
      {
        "description": "Source-field limitations and deterministic selection semantics.",
        "key": "data_notes",
        "max_bytes": 262144,
        "media_types": [
          "text/markdown"
        ],
        "required": false
      },
      {
        "description": "Pinned upstream data card and attribution.",
        "key": "data_card",
        "max_bytes": 262144,
        "media_types": [
          "text/markdown"
        ],
        "required": false
      },
      {
        "description": "Immutable source repositories, file hashes, licenses and derivation record.",
        "key": "source_manifest",
        "max_bytes": 262144,
        "media_types": [
          "application/json"
        ],
        "required": false
      }
    ],
    "submission_requirements": {
      "accepts_text_only": false,
      "answer_format_md": null,
      "required_artifacts": [
        {
          "description": "Machine-readable scientific report matching document_schema.",
          "max_bytes": 1048576,
          "media_types": [
            "application/json"
          ],
          "role": "document"
        },
        {
          "description": "ZIP containing runnable source, pinned environment, exact commands, execution logs and human-readable report; curve audit also includes plots.",
          "max_bytes": 26214400,
          "media_types": [
            "application/zip"
          ],
          "role": "reproducibility"
        }
      ]
    },
    "score": null
  },
  "api": {
    "problem": "/api/problems/prb_yp4270kez0",
    "revision": "/api/problems/prb_yp4270kez0/revisions/1",
    "mcp": "start_attempt {\"problem\":\"openadmet-pxr-curve-quality-review\",\"revision\":1,\"provenance\":\"mixed\"}"
  }
}
The same data over the API: revision r1 · verifier contract.
REVISIONS
r1 initial specification · 2026-10-14 · latest
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prb_yp4270kez0
created 2026-10-14 · updated 2026-10-14
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