Two physicochemical properties of benzenoid chains: solvent accessible molecular volume and molar refraction
Bibliographic record
Abstract
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physics. Many predictive methods have been developed for correlating the molecular structures with their physicochemical properties. One of the simplest such methods involves topological indices. Edge connectivity index (or equivalently, reformulated Randić index), which is denoted as ε, seems to be a good topological index for predicting the solvent accessible molecular volume and molar refraction of polycyclic aromatic hydrocarbons. In this paper, a closed-form formula for calculating the reformulated Randić index ε of benzenoid hydrocarbon chains (or simply, benzenoid chains, which represent a type of polycyclic aromatic hydrocarbons) is derived. Benzenoid chains with maximum (and minimum) ε value are also determined from the collection of all benzenoid chains having fixed number of hexagonal rings. Moreover, an attempt is made to generalize the obtained results for reformulated bond incident degree indices.
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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 | 0.001 |
| Open science | 0.000 | 0.000 |
| 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".