S-PDB: Analysis and Classification of SARS-CoV-2 Spike Protein Structures
Bibliographic record
Abstract
This paper proposes a novel and efficient method, called S-PDB, for the analysis and classification of Spike (S) protein structures of SARS-CoV-2 and other viruses/organisms in the Protein Data Bank (PDB). The method first finds and identifies protein structures in PDB that are similar to a protein structure of interest (SARS-CoV-2 S) via a protein structure comparison tool. The amino acid (AA) sequences of identified protein structures, downloaded from PDB, and their aligned amino acids (AAA) and secondary structure elements (ASSE), that are stored in three separate datasets, are then used for the reliable detection/classification of SARS-CoV-2 S protein structures. Three classifiers are used and their performance is compared by using six evaluation metrics. Obtained results show that two classifiers for text data (Multinomial Naive Bayes and Stochastic Gradient Descent) performed better and achieved high accuracy on the dataset that contains AAA of protein structures compared to the datasets for AA and ASSE, respectively.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.004 | 0.002 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 0.002 |
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 source (direct Gemma or distilled Codex), 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".