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Record W2801460324 · doi:10.1039/c8dt01699b

The global electrophilicity index as a metric for Lewis acidity

2018· article· en· W2801460324 on OpenAlexafffund
Andrew R. Jupp, Timothy C. Johnstone, Douglas W. Stephan

Bibliographic record

VenueDalton Transactions · 2018
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversity of TorontoToronto Public Health
FundersTechnische Universität BerlinNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsElectrophileLewis acids and basesIndex (typography)Base (topology)Metric (unit)ChemistryComputational chemistryOrganic chemistryMathematicsComputer scienceCatalysisEconomicsWorld Wide Web

Abstract

fetched live from OpenAlex

The global electrophilicity index, GEI, is used as a general, quantitative and base-independent metric of Lewis acidity. This parameter has been benchmarked against the established fluoride ion affinity, FIA, for a range of 22 neutral and cationic Lewis acids from across the p-block, including boranes, trityl derivatives, phosphonium cations and sulfoxonium cations. As a demonstration of utility, the GEI is used to catalogue a library of fluoroaryl boranes as it provides a rapid tool for the comparison of a series of Lewis acids featuring peripheral substituent variation.

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)0.002
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.004
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.003
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0040.003
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0040.001

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 head0.010
GPT teacher head0.276
Teacher spread0.266 · 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 designTheoretical or conceptual
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

Citations189
Published2018
Admission routes2
Has abstractyes

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