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Record W4404636578 · doi:10.1007/s11704-024-31063-0

Application of machine learning in drug side effect prediction: databases, methods, and challenges

2024· article· en· W4404636578 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.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueFrontiers of Computer Science · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsUniversity of Waterloo
FundersCentral South UniversityNational Natural Science Foundation of China
KeywordsComputer scienceMachine learningDatabaseArtificial intelligenceData mining

Abstract

fetched live from OpenAlex

Abstract Drug side effects have become paramount concerns in drug safety research, ranking as the fourth leading cause of mortality following cardiovascular diseases, cancer, and infectious diseases. Simultaneously, the widespread use of multiple prescription and over-the-counter medications by many patients in their daily lives has heightened the occurrence of side effects resulting from Drug-Drug Interactions (DDIs). Traditionally, assessments of drug side effects relied on resource-intensive and time-consuming laboratory experiments. However, recent advancements in bioinformatics and the rapid evolution of artificial intelligence technology have led to the accumulation of extensive biomedical data. Based on this foundation, researchers have developed diverse machine learning methods for discovering and detecting drug side effects. This paper provides a comprehensive overview of recent advancements in predicting drug side effects, encompassing the entire spectrum from biological data acquisition to the development of sophisticated machine learning models. The review commences by elucidating widely recognized datasets and Web servers relevant to the field of drug side effect prediction. Subsequently, The study delves into machine learning methods customized for binary, multi-class, and multi-label classification tasks associated with drug side effects. These methods are applied to a variety of representative computational models designed for identifying side effects induced by single drugs and DDIs. Finally, the review outlines the challenges encountered in predicting drug side effects using machine learning approaches and concludes by illuminating important future research directions in this dynamic field.

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)0.004
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: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.944
Threshold uncertainty score0.525

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0040.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
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 head0.019
GPT teacher head0.317
Teacher spread0.298 · 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