Frame-shifted synthesis of oligoheterocycles as a platform for sustainable molecular design
Bibliographic record
Abstract
Chemists need to develop reliable strategies that leverage abundant feedstocks to speed up the production of vital medicines, agrochemicals, and materials. Oligoheterocyclic compounds are one class of molecules that span each of these disciplines. Cross-coupling strategies are commonly used to assemble oligoheterocycles; however, these transformations can be challenging and often rely on costly precious metal catalysts and building blocks derived from unsustainable feedstocks and supply chains. Here, we present a synthetic strategy for iterative construction of oligoheterocycles that leverages sustainable building blocks designed around carbon atoms of high oxidation states. By utilizing feedstocks from the base of the chemical supply chain, we generate bifunctional building blocks that chemoselectively engage with a variety of reaction partners through simple condensation manifolds. Adopting this approach has led to novel scaffolds previously inaccessible by conventional means, which exemplifies sustainable design strategies and enables democratization of chemical synthesis.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| 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 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".