Bibliographic record
Abstract
Release of the database close the publication of the paper: https://pubs.acs.org/doi/10.1021/jacs.1c09820 What's Changed Bump ord-schema version by @skearnes in https://github.com/open-reaction-database/ord-data/pull/43 Regenerate *.pb datasets after migration by @skearnes in https://github.com/open-reaction-database/ord-data/pull/44 Add DOIs to README.md by @skearnes in https://github.com/open-reaction-database/ord-data/pull/45 Clean up provenance DOIs by @skearnes in https://github.com/open-reaction-database/ord-data/pull/49 pbtxt -> pb in submission workflow by @skearnes in https://github.com/open-reaction-database/ord-data/pull/53 pbtxt -> pb in README DOIs by @skearnes in https://github.com/open-reaction-database/ord-data/pull/54 Use Git LFS to store .pb files by @skearnes in https://github.com/open-reaction-database/ord-data/pull/55 Add Git LFS notes to README.md by @skearnes in https://github.com/open-reaction-database/ord-data/pull/62 Add USPTO-480K dataset from https://doi.org/10.1039/C8SC04228D (#61) by @skearnes in https://github.com/open-reaction-database/ord-data/pull/64 Create a submission pull request template by @skearnes in https://github.com/open-reaction-database/ord-data/pull/65 Add USPTO grants 1976--1989 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/66 Add USPTO grants 1990--1999 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/67 Add USPTO grants 2000--2011 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/68 Add USPTO grants 2012--2016 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/69 Allow pbtxt submissions by @skearnes in https://github.com/open-reaction-database/ord-data/pull/71 Merge #70 in main by @skearnes in https://github.com/open-reaction-database/ord-data/pull/73 Merge #57 into main by @skearnes in https://github.com/open-reaction-database/ord-data/pull/74 Migrate ord-data to ord-schema v0.3.0 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/75 Update README DOIs by @skearnes in https://github.com/open-reaction-database/ord-data/pull/76 Rewrite .pb as .pb.gz by @skearnes in https://github.com/open-reaction-database/ord-data/pull/77 Add dataset from Novartis by @skearnes in https://github.com/open-reaction-database/ord-data/pull/79 Bump ord-schema to v0.3.4 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/81 Update CONTRIBUTORS and README by @skearnes in https://github.com/open-reaction-database/ord-data/pull/85 Cc submission biginelli by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/83 Bump ord-schema version to 0.3.9 by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/88 Coupling of α-carboxyl sp3-carbons with aryl halides (#84) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/87 bump ord-schema version by @skearnes in https://github.com/open-reaction-database/ord-data/pull/96 Huffman islatravir dataset submission (#91) by @michaelmaser in https://github.com/open-reaction-database/ord-data/pull/94 upload new data (#97) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/99 OrgSyn example from ord_schema (#95) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/102 Flow dataset from https://pubs.acs.org/doi/full/10.1021/co400012m (#103) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/104 Use conda's pip by @skearnes in https://github.com/open-reaction-database/ord-data/pull/106 #86 by @skearnes in https://github.com/open-reaction-database/ord-data/pull/108 Merge #93 into main by @skearnes in https://github.com/open-reaction-database/ord-data/pull/109 Expt2 10.1021/acs.accounts.0c00760 (#100) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/114 Update DOI list by @skearnes in https://github.com/open-reaction-database/ord-data/pull/111 Adds Nielsen deoxyfluorination dataset (#110) by @michaelmaser in https://github.com/open-reaction-database/ord-data/pull/116 Merge in #98 by @brilee in https://github.com/open-reaction-database/ord-data/pull/117 update the 750 AstraZeneca ELN pbtxt file (#122) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/123 Modifing the origainal AZ ELN dataset (#126) by @connorcoley in https://github.com/open-reaction-database/ord-data/pull/127 Full Changelog: https://github.com/open-reaction-database/ord-data/compare/v0.0.0...v0.1.0
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.007 | 0.019 |
| Meta-epidemiology (narrow) | 0.004 | 0.005 |
| Meta-epidemiology (broad) | 0.004 | 0.005 |
| Bibliometrics | 0.004 | 0.004 |
| Science and technology studies | 0.002 | 0.001 |
| Scholarly communication | 0.013 | 0.008 |
| Open science | 0.009 | 0.006 |
| Research integrity | 0.004 | 0.007 |
| Insufficient payload (model declined to judge) | 0.401 | 0.611 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".