# Curate this paper into an ORD dataset

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

- **Paper:** Enhancing High-Throughput Experimentation Liquid-Handling Capabilities via Strategic Hardware Development of the Mantis Liquid Handler
- **Authors:** Dung L. Golden, F. E. ROBERTS, David Del Valle et al.
- **Published:** OPRD, 2025-09-09
- **DOI:** [10.1021/acs.oprd.5c00216](https://doi.org/10.1021/acs.oprd.5c00216)
- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=132989431)

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 960 reactions; HTE): 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

Mantis liquid-handler HTE workflows (Bristol Myers Squibb), OPRD 2025, DOI 10.1021/acs.oprd.5c00216 (closed article). The ten 96-well plates (about 960 reactions) are tabulated in the SI PDF (op5c00216_si_001.pdf, ACS figshare) and extract cleanly with pdftotext -layout. They are Tables S2 and S3 (ketoreductase screens of 6,7-dihydrocyclopenta[b]pyridin-5-one and BMT-238442), S7 and S8 (phenol O-alkylation with hexyl mesylate), and S9 to S14 (amide couplings, including substrates c1 to c4). Tables S4 to S6 are solvent and reagent dispensing calibrations and are not reactions. Each plate uses its own reaction template, and substrate SMILES must be drawn from the scheme images. Outcomes are UPLC product/internal-standard ratios and area percent, not yields. Ketoreductases are identified only by vendor catalog codes.

Known locations:

- [https://doi.org/10.1021/acs.oprd.5c00216](https://doi.org/10.1021/acs.oprd.5c00216): Article landing page (OPRD) (license: closed (OpenAlex); ACS TDM policy per Crossref)
- [https://acs.figshare.com/articles/journal_contribution/30090846](https://acs.figshare.com/articles/journal_contribution/30090846): SI PDF op5c00216_si_001.pdf (1.4 MB, 50 pages), downloaded and text-extracted. Reaction tables: S2 and S3 (KRED ketone reductions, Prozomix enzyme codes, Prd:IS), S7 and S8 (phenol O-alkylation, base × solvent × concentration, replicates, Prod AP and Prod/IS), S9 to S14 (amide couplings, activator… (license: CC BY-NC 4.0 (figshare label))

## Pitfalls

Multiple templates in one dataset. Outcomes are Prod/IS ratios and area percent (use appropriate ORD measurement types, not YIELD). Enzymes have no structural identifiers (name or catalog code only). Replicate wells. Some substrates are internal BMS compounds drawn only in schemes.

## 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 requires two independent agent reviews; both must pass. Review agents follow the required ord-curation Skill and review.md, use the published model policy, inspect primary sources and independently rebuild the result. Warnings and scientific ambiguities require review even when validation passes. ORD maintainers decide final acceptance separately.

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.