Bibliographic record
Abstract
De novo peptide sequencing refers to the process of determining a peptide’s amino acid sequence from its MS/MS spectrum alone. The principle of this process is fairly straightforward: a high-quality spectrum may present a ladder of fragment ion peaks. The mass difference between every two adjacent peaks in the ladder is used to determine a residue of the peptide. However, most practical spectra do not have sufficient quality to support this straightforward process. Therefore, research in de novo sequencing has largely been a battle against the errors in the data. This chapter reviews some of the major developments in this field. The chapter starts with a quick review of the history in Section 1. Then manual de novo sequencing is examined in Section 2. Section 3 introduces a few commonly used de novo sequencing algorithms. An important aspect of automated de novo sequencing software is a good scoring function that serves as the optimization goal of the algorithm. Thus, Section 4 is devoted for the methods to define good scoring functions. Section 5 reviews a list of relevant software. The chapter concludes with a discussion of the applications and limitations of de novosequencing in Section 6.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.003 | 0.003 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.003 |
| Insufficient payload (model declined to judge) | 0.037 | 0.048 |
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".