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Application of Artificial Intelligence in Drug Repurposing: A mini-review

2021· article· en· W3127061721 on OpenAlexafffund
Gurudeeban Selvaraj, Satyavani Kaliamurthi, Gilles H. Peslherbe, Dong‐Qing Wei

Bibliographic record

VenueCurrent Chinese Science · 2021
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsConcordia University
FundersMinistry of Science and Technology of the People's Republic of ChinaNatural Sciences and Engineering Research Council of CanadaNational Natural Science Foundation of China
KeywordsRepurposingDrug repositioningIdentification (biology)Computer scienceDrug discoveryDrug developmentData scienceArtificial intelligenceDrugMedicinePharmacologyBioinformaticsEngineeringBiology

Abstract

fetched live from OpenAlex

Background and aim: This study aims at the advancement of extra-ordinary biomedical data (genomics, proteomics, metabolomics, drug libraries, and patient care data), evolution of supercomputers, and continuous development of new algorithms that lead to a generous revolution in artificial intelligence (AI). Currently, many biotech and pharmaceutical companies made reasonable investments in and have co-operation with AI companies increasing the chance of better healthcare tools development, includes biomarker and drug target identification, designing a new class of drugs and drug repurposing. Thus, the study is intended to project the pros and cons of AI in the application of drug repositioning. Methods: Using the search term “AI” and “drug repurposing” the relevant literature retrieved and reviewed from different sources includes PubMed, Google Scholar, and Scopus. Results: Drug discovery is a lengthy process; however, leveraging the AI approaches in drug repurposing via quick virtual screening may enhance and speed-up the identification of potential drug candidates against communicable and non-communicable diseases. Therefore, in this mini-review, we have discussed different algorithms, tools and techniques, advantages, limitations on predicting the target in repurposing a drug. Conclusions: AI technology in drug repurposing with the association of pharmacology can efficiently identify drug candidates against pandemic diseases.

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)0.002
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.882
Threshold uncertainty score0.474

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.006
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.037
GPT teacher head0.392
Teacher spread0.355 · 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.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreMethods

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

Citations13
Published2021
Admission routes2
Has abstractyes

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