{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570030",
  "ord_data_issue": null,
  "title": "‘Chemistry at the speed of sound’: automated 1536-well nanoscale synthesis of 16 scaffolds in parallel",
  "doi": "10.1039/D2GC04312B",
  "journal": "Green Chemistry",
  "publication_date": "2023-01-17",
  "authors": [
    "Li Ting Gao",
    "Shabnam Shaabani",
    "Atilio Reyes Romero",
    "Rui‐Xue Xu",
    "Maryam Ahmadianmoghaddam",
    "Alexander S. S. Dömling"
  ],
  "article_open_access": {
    "status": "hybrid",
    "license": "cc-by"
  },
  "dataset_size_estimate": 1536,
  "experiment_type": "HTE",
  "ord_priority": "High",
  "ord_difficulty": "Hard",
  "source_data_kind": "plate_images_or_heatmaps",
  "smiles_in_source": "no",
  "needs_author_contact": true,
  "data_locations": [
    {
      "url": "https://pmc-oa-opendata.s3.amazonaws.com/PMC9940305.1/GC-025-D2GC04312B-s001.pdf",
      "what": "The only SI file: a PDF with the 1536-well plate maps and qualitative outcome calls. Listed in the PMC OA metadata but not downloaded.",
      "license": "CC BY (PMC OA subset license_code; Crossref gives CC BY 3.0 for the article)"
    },
    {
      "url": "https://www.ebi.ac.uk/europepmc/webservices/rest/PMC9940305/fullTextXML",
      "what": "Full-text XML (PMC9940305). It lists one supplementary PDF and no data deposit.",
      "license": "CC BY 3.0 (article)"
    },
    {
      "url": "https://pubs.rsc.org/en/content/articlelanding/2023/gc/d2gc04312b",
      "what": "Publisher landing page. It returned a Cloudflare bot challenge, so it was not inspected.",
      "license": "CC BY 3.0 (article, per Crossref)"
    }
  ],
  "notes": "Green Chemistry 2023, 25, 1380 (DOI 10.1039/D2GC04312B). The article is CC BY 3.0 and its PMC open-access copy (PMC9940305) is CC BY. It reports automated acoustic-dispensing nanoscale synthesis in a 1536-well plate across 16 multicomponent-reaction scaffolds. The only SI is one PDF (GC-025-D2GC04312B-s001.pdf), and its outcomes are plate maps with qualitative calls (high / medium / none). No machine-readable dataset or repository deposit was found. To curate it, map every well to its building blocks and scaffold, then write the qualitative outcome as a product measurement. Structured well-level data from the authors would make this far more reliable than reading plate-map images.",
  "verification_caveats": "Outcomes are qualitative (high/medium/none, probably from MS detection), not yields. The 16 multicomponent scaffolds mean several reaction templates. Individual products are probably not characterised. Each well has to be matched to its building blocks and dispense volumes from the plate layout, which is hard to check automatically without the authors' plate map files."
}