{
"problem": {
"id": "prb_lu5zp5833r",
"slug": "ord-zhang-2023-flow-kinetic-screening",
"title": "High Throughput Multidimensional Kinetic Screening in Continuous Flow Reactors",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ACIE 2023, DOI 10.1002/anie.202308838. Transient flow. Source data: data that must be requested from the authors."
},
"revision": {
"id": "prv_pi2880jj98",
"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 Multidimensional Kinetic Screening in Continuous Flow Reactors\n- **Authors:** Bo Zhang, Ansila Mathoor, Tanja Junkers\n- **Published:** ACIE, 2023-08-03\n- **DOI:** [10.1002/anie.202308838](https://doi.org/10.1002/anie.202308838)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126569948)\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 (transient flow): 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\nSource: Zhang, Mathoor and Junkers, Angew. Chem. Int. Ed. 2023, doi:10.1002/anie.202308838 (open access; Crossref lists CC-BY-NC-ND 4.0 for the article). This is high-throughput multidimensional kinetic screening of polymerizations in continuous-flow reactors using transient-flow operation, a custom reactor layout and a custom controller. The SI states that all raw data for monomer concentration, degree of polymerization (DP) and residence-time screening are in a separate Excel file. That file could not be found on the publisher site, and no public repository deposit was located, so it likely has to be obtained from the authors. Pitfalls: polymer products must be described (target DP, conversion, molecular weight/dispersity rather than a single product SMILES). Transient-flow experiments produce continuous kinetic profiles that must be discretized into ORD reactions or time-course measurements. The custom reactor setup needs a careful flow description.\n\nKnown locations:\n\n- [https://doi.org/10.1002/anie.202308838](https://doi.org/10.1002/anie.202308838): Angew. Chem. article and Wiley SI (SI references a separate raw-data Excel file that could not be located) (license: Article CC-BY-NC-ND 4.0 per Crossref (OpenAlex lists other-oa); SI/Excel license unknown)\n- [https://api.datacite.org/dois?query=Junkers](https://api.datacite.org/dois?query=Junkers): figshare and DataCite search for a deposited raw-data file; none found (license: n/a)\n\n## Pitfalls\n\nTransient flow (conditions ramped over time; kinetic time courses). Polymer products (no discrete product SMILES; DP/Mn/dispersity outcomes). Custom reactor and controller setup. Raw data file not located.\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"
}
],
"verifier_contract_id": "vct_4t6ri8zibj",
"verifier_input_bindings": [
{
"key": "card",
"content_hash": "sha256:228a034208fde4edca536ccde34c49c09575d82bc7f5673bdd60492ae8ebb1e0",
"size_bytes": 2560,
"media_type": "application/json",
"filename": "card.json"
}
],
"sealing": null
},
"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
}
],
"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"
}
]
},
"score": null
},
"api": {
"problem": "/api/problems/prb_lu5zp5833r",
"revision": "/api/problems/prb_lu5zp5833r/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-zhang-2023-flow-kinetic-screening\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}