An exploratory study to investigate possible simple descriptors in order to predict relative activity of antiepileptic enaminones
Why this work is in the frame
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Bibliographic record
Abstract
Abstract A general structure, substituent and activity relationship of the following type has been fitted to the available ED 50 values of cyclic enaminone antiepileptic compounds: ${\rm ED}_{50} = f\left[ {{\rm structure,}\;{\rm substituent}} \right] = f[d, \sigma]$ . In this relationship ‘structure’ was quantified by d , the distance measured between the carbonyl oxygen and the first atom of the aromatic ring. The ‘substituent’ was quantified by Hammett substituent constant: ( σ ). With the aid of the above function of two independent variables, a new molecular structure was predicted by extrapolation that has shown about two orders of magnitude greater activity than the most active molecule in the original set with measured ED 50 values. Copyright © 2008 John Wiley & Sons, Ltd.
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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 | 0.001 |
| 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 | 0.000 | 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 it