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Record W2124968331 · doi:10.1351/pac200678050935

Green chemistry: The development of cross-dehydrogenative coupling (CDC) for chemical synthesis

2006· article· en· W2124968331 on OpenAlexafffund
Chao‐Jun Li, Zhiping Li

Bibliographic record

VenuePure and Applied Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicCatalytic C–H Functionalization Methods
Canadian institutionsMcGill University
FundersFonds Québécois de la Recherche sur la Nature et les TechnologiesNatural Sciences and Engineering Research Council of CanadaMcGill UniversityAstraZeneca
KeywordsChemistryInefficiencyBiochemical engineeringChemical synthesisFunctional groupChemical reactionChemical industryMoleculeConstruct (python library)Coupling reactionReactivity (psychology)Combinatorial chemistryChemical bondComputational chemistryOrganic chemistryComputer scienceCatalysis

Abstract

fetched live from OpenAlex

Abstract Social, economic, and environmental concerns about chemical production have been increasing. These concerns all originate from the inefficiency of conventional chemical syntheses. On the basis of the "E-factor", a concept of the "extended E-factor" is proposed in the article and is used to correlate various industrial sectors and the average number of synthetic steps involved in those sectors. Based on this analysis, the most fundamental way to eliminate waste formation is to develop new chemical reactivity that can greatly shorten the steps involved in a chemical synthesis. In classical organic transformations, a "functional group" is required. In efforts to develop new chemical reactivities that do not need extra steps for generating functional groups, we have recently developed various cross-dehydrogenative coupling (CDC) methodologies to construct functional molecules by directly using C-H bonds. This article describes the progress of our group's research endeavor.

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)0.000
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: none
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0000.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.017
GPT teacher head0.269
Teacher spread0.252 · 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

Citations248
Published2006
Admission routes2
Has abstractyes

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