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Record W2883399833 · doi:10.1021/acs.joc.8b01412

Chemistry Takes a Bath: Reactions in Aqueous Media

2018· article· en· W2883399833 on OpenAlexaff
David K. Romney, Frances H. Arnold, Bruce H. Lipshutz, Chao‐Jun Li

Bibliographic record

VenueThe Journal of Organic Chemistry · 2018
Typearticle
Languageen
FieldEnvironmental Science
TopicChemistry and Chemical Engineering
Canadian institutionsMcGill University
Fundersnot available
KeywordsChemistryAqueous solutionAqueous mediumOrganic chemistryComputational chemistry

Abstract

fetched live from OpenAlex

Chemical reactions in water underpin the very existence of life. But to synthetic chemists, water is usually considered an enemy, lurking in the shadows, waiting to reduce yields and destroy reproducibility. Indeed, chemists often take great pains to exclude even traces of water from their reaction media, and if water does make an appearance in a synthetic procedure, it is only in the course of workup. Instead, fine-chemical syntheses tend to use petroleum-derived solvents, which contribute to a vast pool of toxic waste,(1,2) and water-sensitive reactions, which complicate process development and oftentimes create safety hazards.(3) Thus, there has been an increasing push in industry and academia to replace reactions run in traditional organic solvents with alternatives that function in aqueous media.

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)0.003
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: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.013
Threshold uncertainty score0.042

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0020.004
Scholarly communication0.0040.010
Open science0.0010.004
Research integrity0.0020.005
Insufficient payload (model declined to judge)0.0130.011

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 head0.005
GPT teacher head0.183
Teacher spread0.178 · 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

Citations125
Published2018
Admission routes1
Has abstractyes

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