Molecular structure and radiative efficiency of fluorinated ethers: A structure‐activity relationship
Bibliographic record
Abstract
Fluorinated ethers are receiving attention as possible replacements for ozone‐depleting substances. Accurate knowledge of their radiative forcing is required to assess the contribution of these compounds to climate change. Radiative efficiency is a metric used to determine the potential of long‐lived greenhouse gases to impact climate. A structure‐activity relationship (SAR) was derived that can estimate the majority of radiative efficiencies of fluorinated ether compounds within 25% of the published experimentally determined values. The SAR allows prediction of radiative efficiency solely from molecular structure and was developed from 154 calculated and 11 experimentally measured infrared spectra for fluorinated ethers. Stretching vibrations for C‐F bonds adjacent to an ether oxygen absorb at lower frequencies than those which are further removed from the ether moiety, which typically gives rise to a higher radiative efficiency. Molecular structure plays an important role in determining the radiative efficiency of fluorinated ethers. The SAR developed herein could be used in the design of new fluorinated ethers that have minimal climate impacts.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".