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Record W7128775372 · doi:10.31579/2693-7247/186

Drug Discovery: Design and Serendipity

2024· article· W7128775372 on OpenAlexfundno aff
Rehan Haider *, Asghar Mehdi

Bibliographic record

VenuePharmaceutics and Pharmacology Research · 2024
Typearticle
Language
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsnot available
FundersUniversity of KarachiUniversity of Calgary
KeywordsSerendipityDrugDrug repositioningProcess (computing)Drug discoveryRepurposing

Abstract

fetched live from OpenAlex

Drug finding is a complex process that includes the design and development of new drugs to treat miscellaneous afflictions and environments. While modern drug finding frequently depends state-of-the-art technologies and controlled designs, happenstance the accidental discovery of valuable compounds continues to play a important act engaged. This abstract explores the interaction betwixt orderly design and fortunate discovery in drug incident. Systematic drug design includes the deliberate labeling of drug marks, followed for one realistic design and combination of compounds that interact accompanying these aims to produce healing belongings. This approach relies on computational shaping, form-located drug design, and extreme-throughput screening methods to urge the finding process and optimize drug aspirants for productiveness and security. However, happenstance remains a valuable and changeable facet of drug finding. Many pioneering medications, containing medicine and Viagra, were found accidentally while scientists were fact-finding independent phantasms. Serendipitous discoveries frequently stand from surprising notes or side effects all the while dispassionate troubles or laboratory experiments. These chance judgments can bring about the labeling of novel drug marks or the repurposing of existing compounds for new healing clues. The cooperation 'tween systematic drug design and fortunate finding is essential for numbering drug innovation. While orderly approaches supply a organized framework for drug happening, happenstance supports artistry and opens new avenues for investigation. By taking advantage of two together plans, researchers can harness the entire range of space in drug discovery, eventually chief to the incident of more reliable, more effective drugs.

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 distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.012
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Scholarly communication, Research integrity
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.867
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0120.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.002
Science and technology studies0.0010.002
Scholarly communication0.0030.002
Open science0.0010.003
Research integrity0.0000.003
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.238
GPT teacher head0.519
Teacher spread0.282 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designSimulation or modeling
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2024
Admission routes1
Has abstractyes

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