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Record W4395683067 · doi:10.5376/cmb.2024.14.0002

Artificial Intelligence and Drug Design: Future Prospects and Ethical Considerations

2024· article· en· W4395683067 on OpenAlexvenueno aff
Tao Chen

Bibliographic record

VenueComputational Molecular Biology · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsnot available
Fundersnot available
KeywordsDrugEngineering ethicsManagement scienceComputer sciencePsychologyMedicineEngineeringPharmacology

Abstract

fetched live from OpenAlex

The rapid advancement of science and technology, artificial intelligence (AI) has penetrated into many fields and shown its great potential. In the field of drug design, the application of AI is gradually changing the traditional research and development model. This study first introduces the applicability of AI technology in drug design and its application examples at each stage, and analyzes its important role in improving R&D efficiency and success rate. Subsequently, the article looks forward to the future prospects of AI and drug design, including technological innovation, development trends, challenges and opportunities, and proposes corresponding development strategies. However, the widespread application of AI has also triggered many ethical considerations, such as data privacy, algorithm transparency, and definition of ethical responsibilities, which need to be treated with caution while promoting technological development. Finally, this study highlights how the relationship between innovation and ethics should be balanced in future research and makes corresponding recommendations.

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 imitation

Not 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.

metaresearch head score (Codex)0.054
metaresearch head score (Gemma)0.047
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Review · Consensus signal: none
Teacher disagreement score0.054
Threshold uncertainty score0.286

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0540.047
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0040.019
Scholarly communication0.0110.013
Open science0.0020.004
Research integrity0.0150.013
Insufficient payload (model declined to judge)0.0050.001

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 head0.041
GPT teacher head0.354
Teacher spread0.313 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
Domainnot available
GenreReview

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

Citations2
Published2024
Admission routes1
Has abstractyes

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