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Record W4406441741 · doi:10.1002/chem.202403960

Easily Accessible and Solution‐Stable Ni(0) Precatalysts for High‐Throughput Experimentation

2025· article· en· W4406441741 on OpenAlexaff
Gilian T. Thomas, Odhran Cruise, Daelin Peel-Smith, Nahiane Pipaón Fernández, Charles Killeen, David C. Leitch

Bibliographic record

VenueChemistry - A European Journal · 2025
Typearticle
Languageen
FieldMaterials Science
TopicMachine Learning in Materials Science
Canadian institutionsUniversity of Victoria
FundersDivision of ChemistryUniversity of RochesterCenter for Enabling New Technologies Through CatalysisBill and Melinda Gates FoundationNational Science Foundation
KeywordsThroughputComputer scienceCombinatorial chemistryChemistryProcess engineeringEngineeringOperating system

Abstract

fetched live from OpenAlex

Abstract We report the synthesis, characterization, and catalytic applications of N , N’ ‐diaryl diazabutadiene (DAB) Ni(0) complexes stabilized by alkene ligands. These complexes are soluble and stable in several organic solvents, making them ideal candidates for in situ catalyst formation during high‐throughput experimentation (HTE). We used HTE to evaluate these Ni(0) precatalysts in a variety of Suzuki and C−N coupling reactions, and they were found to have equal or better performance than the still‐standard Ni(0) source, Ni(COD) 2 .

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 imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.011

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.002

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.

Opus teacher head0.014
GPT teacher head0.289
Teacher spread0.275 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations4
Published2025
Admission routes1
Has abstractyes

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