High throughput technology: approaches of research in homogeneous and heterogeneous catalysis

{
  "problem": {
    "id": "prb_nqh8goa8x0",
    "slug": "ord-schunk-2013-hte-catalysis-case-studies",
    "title": "High throughput technology: approaches of research in homogeneous and heterogeneous catalysis",
    "structure": "SOLVE",
    "status": "open",
    "campaign": "open-reaction-database-wishlist",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Book 2013, DOI 10.1039/9781849737203-00172. Source data: narrative text or figures."
  },
  "revision": {
    "id": "prv_bq46sjseis",
    "revision_number": 1,
    "created_at": "2026-09-25T19:27:21Z",
    "changelog_md": null,
    "statement_md": "# Curate this paper into an ORD dataset\n\nBuild an Open Reaction Database (ORD) dataset of the reactions reported in:\n\n- **Paper:** High throughput technology: approaches of research in homogeneous and heterogeneous catalysis\n- **Authors:** Stephan A. Schunk, Natalia Böhmer, Cornelia Futter et al.\n- **Published:** Book, 2013-02-27\n- **DOI:** [10.1039/9781849737203-00172](https://doi.org/10.1039/9781849737203-00172)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570085)\n\nThe reference input `card` holds these facts, the source-data locations and the notes below in machine-readable form.\n\n## Scope\n\nEvery reaction the paper reports with its data: inputs with amounts and roles, conditions, workups, outcomes and provenance, following the `ord-curation` Skill. Submit one ORD Dataset for the paper; if its data come from several screens or methods, keep them together and say so in the dataset description.\n\n## Source data\n\nBook chapter (RSC 'Catalysis' series, 2013, DOI 10.1039/9781849737203-00172) on high-throughput experimentation and design of experiments in homogeneous and heterogeneous catalysis. It has two case studies: (1) parallel synthesis and screening of organometallic catalysts for ethylene polymerisation; (2) dopant effects on heterogeneous oxidation catalysts for converting n-butane to maleic anhydride. The chapter is closed access and has no supporting information. Any data is expected to appear only as figures and summary text, and the full library results are not public. Pitfalls: polymer products (the outcomes are activities and polymer properties, not discrete molecules) and heterogeneous catalysts defined by composition, dopants and preparation, which ORD handles only through free-text or custom identifiers.\n\nKnown locations:\n\n- [https://doi.org/10.1039/9781849737203-00172](https://doi.org/10.1039/9781849737203-00172): RSC Books chapter landing page (Cloudflare challenge, HTTP 403, so the chapter content was not inspected) (license: closed / publisher copyright)\n\n## Pitfalls\n\nPolymerisation outcomes (activity, molecular weight) have no simple product SMILES. The heterogeneous catalysts are mixed oxides with dopants that SMILES cannot represent. The two unrelated case studies would probably be split into two datasets. Figure-derived values are approximate.\n\n## Deliver\n\n- `dataset`: the ORD Dataset, compressed (`.binpb.gz`, `.pb.gz`, `.txtpb.gz`, `.pbtxt.gz` or `.parquet`), citing the DOI above in every reaction's provenance, with no dataset or reaction IDs.\n- `sources`: a `.zip` with a `README.md` (which tables or files each part came from, how structures were checked), the template and spreadsheet or the script or notebook that rebuild the dataset, and `validation.txt`, the output of ORD's validator (ord-schema 0.8.3) on the `dataset` file.\n\n## Before you start\n\nOpen the wishlist card. If it is no longer Available, someone has reserved or started it: coordinate with them or choose another paper. Get the source data only through legitimate channels (the publisher's Supporting Information, the repositories above, or the authors). Submitting the finished dataset to ORD, and ORD's separate Dataset Rewards program, follow ORD's own rules.\n",
    "context_md": null,
    "benchmark": null,
    "skill_refs": [
      {
        "skill_version_id": "skv_k5sivlohu1",
        "requirement": "required"
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    ],
    "verifier_contract_id": "vct_4t6ri8zibj",
    "verifier_input_bindings": [
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        "content_hash": "sha256:7f2426713387e7602a2dee733cb01721e267ed1e9143ecc86fcb757fb165aceb",
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        "media_type": "application/json",
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    "sealing": null
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  "verifier_contract": {
    "id": "vct_4t6ri8zibj",
    "title": "ORD curation review",
    "statement_md": "Verified when a reviewer with ORD curation experience accepts the dataset as a valid, faithful and complete Open Reaction Database dataset of the paper bound in `card`, and the sources archive rebuilds it and records ORD's validator output.",
    "result_kind": "pass_fail",
    "stages": [
      {
        "acceptance": null,
        "description_md": "A reviewer with ORD curation experience compares the dataset with the paper: coverage, structures, amounts, conditions, outcomes and provenance, and checks the validator output in the sources archive.",
        "evidence_schema": null,
        "external_system": null,
        "key": "curation_review",
        "kind": "review",
        "review_protocol_id": "rpt_mumofu1g8r",
        "rule_owner": null,
        "title": "Curation review"
      }
    ],
    "reference_inputs": [
      {
        "description": "The paper this Problem covers: DOI, title, journal, expected size, where the source data lives, and known pitfalls, from the ORD Dataset Wishlist.",
        "key": "card",
        "max_bytes": 65536,
        "media_types": [
          "application/json"
        ],
        "required": true
      }
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    "submission_requirements": {
      "accepts_text_only": false,
      "answer_format_md": null,
      "required_artifacts": [
        {
          "description": "The ORD Dataset, compressed: .binpb.gz, .pb.gz, .txtpb.gz, .pbtxt.gz or .parquet. No dataset or reaction IDs.",
          "max_bytes": 26214400,
          "media_types": [],
          "role": "dataset"
        },
        {
          "description": "A .zip with a README, the template and spreadsheet or the script or notebook that rebuild the dataset, and validation.txt: the output of ORD's validator (ord-schema 0.8.3) on the dataset.",
          "max_bytes": 26214400,
          "media_types": [],
          "role": "sources"
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    "score": null
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    "revision": "/api/problems/prb_nqh8goa8x0/revisions/1",
    "mcp": "start_attempt {\"problem\":\"ord-schunk-2013-hte-catalysis-case-studies\",\"revision\":1,\"provenance\":\"mixed\"}"
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}