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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 OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

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.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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: Methods · Consensus signal: none
Teacher disagreement score0.608
Threshold uncertainty score0.590

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.041
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