QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α<sub>4</sub>β<sub>2</sub> receptors
Bibliographic record
Abstract
Neonicotinoids are emerging as a major class of insecticides with promising insecticidal activity having a specific affinity towards the nicotinic acetylcholine receptors (nAChR). A quantitative structureactivity relationship (QSAR) study was performed on some azidopyridinyl neonicotinoids for their selective insecticidal activity over mammalian toxicity. The result showed that increased surface area of the molecules may help to increase the binding affinity of the compounds towards the Drosophila receptor and the presence of the azido group on the other hand may be detrimental towards the affinity. Compounds having low polarity, increased probability of nucleophilic attack at the particular position (N-1), and a higher positive charge at the C-12 position can reduce the binding affinity of these compounds towards the mammalian receptor.Key words: QSAR, neonicotinoids, Drosophila nicotinic receptor, mammalian α 4 β 2 receptor, AM1.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".