Quantitative Structure-Activity Relationships (QSARs) of Monoterpenoids at an Expressed American Cockroach Octopamine Receptor
Why this work is in the frame
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Bibliographic record
Abstract
Monoterpenoids are found in essential oils from numerous plant families. Octopamine is a biogenic monoamine found within various invertebrates, including insects. Octopamine exerts its physiological effects through the activation of G-protein-coupled receptors (GPCRs). GPCRs are an under-utilized receptor target in the agrochemical industry. Here we report the expression of an octopamine receptor from the brain of the American cockroach (Periplaneta americana) in Saccharomyces cerevisiae, creating a ligand-independent histidine-auxotrophic assay. The majority of monoterpenoids acted as an inverse agonist in this system. Three QSAR models show that electronic properties are most important for monoterpenoid interaction with this octopamine receptor in this yeast assay.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| 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 it