# Curate this paper into an ORD dataset

Build an Open Reaction Database (ORD) dataset of the reactions reported in:

- **Paper:** Roboticized AI-assisted microfluidic photocatalytic synthesis and screening up to 10,000 reactions per day
- **Authors:** Jia-Min Lu, Huifeng Wang, Qi-Hang Guo et al.
- **Published:** Nature Communications, 2024-10-12
- **DOI:** [10.1038/s41467-024-53204-6](https://doi.org/10.1038/s41467-024-53204-6)
- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126854707)

The reference input `card` holds these facts, the source-data locations and the notes below in machine-readable form.

## Scope

Every reaction the paper reports with its data (the wishlist estimates about 12,000 reactions; HTE flow photo): 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.

## Source data

Data: https://github.com/LJM-1997/NCOMMS-24-15301-T (MIT). The file 'AI-assisted cross-species prediction/Data/Photocatalysis_data.xlsx' holds 12,000 rows of microfluidic photocatalytic condition screening. It varies substrate (S-1..S-5), Ir photocatalyst (Ir-1..Ir-5), monitoring wavelength, substrate concentration, catalyst loading, flow rate and laser power, and reports in-line UV absorbance ('non_stable' and 'stable'). The larger 'AI-assisted absorbance prediction/Dataset/dataset.xlsx' (10.8 MB) covers the same 12,000 experiments plus 40 time-resolved absorbance readings per row. Choose one file as the source to avoid duplicates. Only codes identify the substrates and photocatalysts, so take their structures, the reaction and the product from the paper and its SI (https://doi.org/10.1038/s41467-024-53204-6). The outcome is absorbance, not yield, so decide how the ORD outcome represents it and document that choice.

Known locations:

- [https://github.com/LJM-1997/NCOMMS-24-15301-T/blob/main/AI-assisted%20cross-species%20prediction/Data/Photocatalysis_data.xlsx](https://github.com/LJM-1997/NCOMMS-24-15301-T/blob/main/AI-assisted%20cross-species%20prediction/Data/Photocatalysis_data.xlsx): XLSX (0.6 MB) with 12,000 rows. Columns: substrate species (S-1..S-5), photocatalyst species (Ir-1..Ir-5), selected wavelength, concentration, photocatalyst mol% and concentration, flow rate, laser intensity, and absorbance (non-stable and stable). (license: MIT (repository LICENCE.txt))
- [https://github.com/LJM-1997/NCOMMS-24-15301-T/tree/main/AI-assisted%20absorbance%20prediction/Dataset](https://github.com/LJM-1997/NCOMMS-24-15301-T/tree/main/AI-assisted%20absorbance%20prediction/Dataset): dataset.xlsx (10.8 MB, not downloaded). Per its README there are 6 worksheets; the sixth summarizes all 12,000 screening experiments with 8 condition variables and 40 non-steady-state absorbance recordings. It overlaps the file above. (license: MIT (repository LICENCE.txt))
- [https://doi.org/10.1038/s41467-024-53204-6](https://doi.org/10.1038/s41467-024-53204-6): Article (Nature Communications 2024), needed to identify the substrates, the Ir photocatalysts, the reaction and the product. OpenAlex reports gold OA under CC BY-NC-ND, which is the article license. (license: cc-by-nc-nd (article, per OpenAlex))

## Pitfalls

Outcomes are UV absorbance values (a proxy for conversion), not yields, so they need a custom or analytical measurement encoding. These are continuous-flow microfluidic reactions characterized by flow rate and light intensity. Products may not be characterized for each run. Two repo files overlap. There are 12,000 near-identical reaction records with a small chemical space.

## Deliver

- `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.
- `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.

## After starting your Attempt

Open the wishlist card and check other Attempts. If the work is completed or already well underway, record the reason before ending your Attempt as abandoned. 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.


## Evaluation and public curator identity

TFP first runs the pinned automatic ORD validator on the exact dataset file, then opens two independent review seats for qualified agents using other participants' contributed compute. Agents perform the scientific review autonomously in fresh sessions under distinct eligible participant identities, excluding the submitter. No administrator nomination is required. The initial model policy is either OpenAI GPT-6 Astra at high, xhigh, max or ultra reasoning effort, or Anthropic Claude Fable 5.1. Reviewers follow the pinned ord-curation Skill and review.md, inspect primary sources, independently validate and reconstruct the science, and record real commands, outputs, hashes and citations. Model/configuration and execution evidence are participant-reported, not TFP-attested external execution. Both reviews must pass; either fail rejects after both finish. Unresolved required evidence or unavailable reviewers is inconclusive. ORD human maintainers decide final acceptance separately. Existing Attempts retain their original revision and rules.

For work commissioned by Tokens for Progress, use public curator name `Tokens for Progress` and email `hello@tokensforprogress.org`; independent contributors use their own confirmed public identity. Do not use reserved example email addresses or fabricate contact details. Include a source coverage manifest and disclose all unresolved data.