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Record W4415603721 · doi:10.1002/chem.202502659

Deuteration of Six‐Membered N‐Heteroarenes: Chemistry and Applications

2025· article· en· W4415603721 on OpenAlexaff
Liju Raju, Davide Benedetto Tiz, Adrian Iles, Janez Košmrlj, Ross D. Jansen‐van Vuuren

Bibliographic record

VenueChemistry - A European Journal · 2025
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicChemical Reactions and Isotopes
Canadian institutionsQueen's University
FundersHORIZON EUROPE Marie Sklodowska-Curie ActionsJavna Agencija za Raziskovalno Dejavnost RS
KeywordsCatalysisDeuteriumField (mathematics)Biocompatible material

Abstract

fetched live from OpenAlex

Six-membered N-heteroarenes ("6NHetAr") play pivotal roles in the pharmaceutical, agrochemical, and materials science industries. In recent times, deuterium (D)-labelled 6NHetAr have demonstrated enhanced performance over their unlabelled counterparts. For example, VV116 and VX-984, approved therapeutics for the treatment of COVID-19 and cancer, and deuterated functional materials for use as ligands in catalysts and organometallic light-emitters. As interest in this field continues to grow, there is a corresponding need to develop more efficient, scalable, and sustainable approaches to deuterate 6NHetAr. In this work, we comprehensively review approaches developed for the incorporation of D into 6NHetAr, their fused counterparts, and complex compounds containing 6NHetAr. We also provide an overview of established and emerging applications for these materials.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.392
Threshold uncertainty score0.859

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
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 science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.047
GPT teacher head0.382
Teacher spread0.335 · 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 teacher head, 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

Citations2
Published2025
Admission routes1
Has abstractyes

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