{
  "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=133672044",
  "ord_data_issue": null,
  "title": "Thinking Outside the Library: Cluster Synthesis of Diverse Molecules on a Single Robotic Platform",
  "doi": "10.26434/chemrxiv-2025-j8bsl",
  "journal": "ChemRxiv",
  "publication_date": "2025-10-08",
  "authors": [
    "Franck Le Vaillant",
    "Luidgi Gromat",
    "Clémentine Pescheteau",
    "Nicolas Ducrot",
    "Aurélien Demilly",
    "Jean‐Christophe Meillon",
    "Nicolas Do Huu",
    "Quentin Perron"
  ],
  "article_open_access": {
    "status": "green",
    "license": "cc-by-nc-nd"
  },
  "dataset_size_estimate": 135,
  "experiment_type": "MTE",
  "ord_priority": "High",
  "ord_difficulty": "Hard",
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.26434/chemrxiv-2025-j8bsl",
      "what": "ChemRxiv preprint (2025-10-08), with data in PDF tables per ORD curator notes. Crossref lists CC BY-NC-ND 4.0.",
      "license": "CC BY-NC-ND 4.0 (per Crossref)"
    }
  ],
  "notes": "Preprint: https://doi.org/10.26434/chemrxiv-2025-j8bsl (ChemRxiv, CC BY-NC-ND 4.0). About 135 reactions from 'cluster synthesis' of diverse molecules on one robotic platform. According to the ORD curator notes, the data sits in PDF tables, and products are given as structure images plus IUPAC names. Convert the IUPAC names to SMILES, for example with OPSIN, and check them against the drawn structures. The dataset is split into several clusters and campaigns, so reaction templates may need customising for each cluster. The preprint may be revised or published in a journal; record which version was curated. The CC BY-NC-ND license means the SI should be referenced, not redistributed.",
  "verification_caveats": "There are several reaction templates across clusters, some products are specified only by images, and IUPAC-to-SMILES conversion may fail or be ambiguous. It is medium-throughput (MTE) with varied workups. Isolated versus assay yields may be mixed. The source is a preprint whose versions may change."
}