Quantitative Structure–activity Relationship Studies of Flavonoids Substituted as Anticancer Agents Activity against the Growth of the Hepatic Cancer Cell lines HepG2
Bibliographic record
Abstract
Quantitative Structure–Activity Relationship (QSAR) models, based on molecular descriptors, derived from molecular structures, have been used for the prediction for computed the Hepatic Cancer Cell lines HepG2 of flavonoids substituted. QSAR model including some molecular descriptors, regression quality indicates that these descriptors provide valuable information and have significant role in the assessment of the cytotoxicity of compounds under study. Four QSAR equations, for the prediction of cytotoxicity, have been drawn up by using the multiple regression technique, (Eqs 1-4) with the values of R2 ranged from 0.767-0.797, Q2 ranged from 0.765-0.796 and the values of S ranged from 7.051-7.391, while the values of F ranged from 9.328-10.354. The results have shown excellent model by Eq 4. with high R2,F and minimum S by using eight parameters [Gm, nO, nH, nCIC, nBM, nAB, D.M and Ku], and have found and indicated that these parameters have significant role in determining the properties of cytotoxicity. This result encourages the application of QSAR to a wider selection of compounds properties.
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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 | 0.002 |
| 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 | 0.002 | 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".