PROCEEDINGS BOOK OF THE XXVIII SYMPOSIUM "BIOINFORMATICS AND COMPUTER-AIDED DRUG DISCOVERY", MOSCOW, 2022
Bibliographic record
Abstract
The materials of the XXVIII Symposium "Bioinformatics and Computer-Aided Drug Discovery" are presented. This Symposium is dedicated to the emerging challenges and opportunities for in silico drug discovery.The Symposium's main topics: development and practical application of computational methods for finding and validation of new pharmacological targets, in silico design of potent and safe pharmaceutical agents, optimization of the structure and properties of drug-like compounds, rational approaches to the utilization of pharmacotherapeutic remedies in medical practice. This information will be useful for researchers whose investigations are dedicated to creating computational methods and their application to drug research and development using bio- and chemoinformatics methods based on post-genomic technologies. It can also be useful for undergraduate, graduate, and postgraduate students specializing in the relevant fields.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.002 | 0.001 |
| Meta-epidemiology (broad) | 0.002 | 0.001 |
| Bibliometrics | 0.003 | 0.003 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.004 | 0.002 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.003 |
| Insufficient payload (model declined to judge) | 0.199 | 0.159 |
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".