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A Review of Target Identification Strategies for Drug Discovery: from Database to Machine-Based Methods

2021· review· en· W3159732253 on OpenAlexaff
Zehua Shangguan

Bibliographic record

VenueJournal of Physics Conference Series · 2021
Typereview
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsYork University
Fundersnot available
KeywordsSupport vector machineIdentification (biology)Computer scienceDrug discoveryMachine learningArtificial intelligenceProcess (computing)Drug targetProperty (philosophy)Data miningDatabaseBioinformaticsBiology

Abstract

fetched live from OpenAlex

Abstract In recent years, target identification has become more efficient than before, and it helped to discover huge amounts of drugs for various diseases. The mystery buried behind was the methods that developed in recent years utilized in the target identification. The advances and research status of database, biological assay and machine-based method in recent years for target identification would be integrated by this review. The various databases help scientists to find information about target property, chemical property or on genome level. The biological assay, such as RNAi, RNA sequencing, DNA microarray, and Gal4/UAS system, is commonly used to identify the target in recent years. The machine-based strategies, such as random forest algorithm and Support Vector Machine (SVM) algorithm, could help scientists identify the target and find compound activity more efficiently. Among the three methods mentioned above, the machine-based methods could have higher efficiency and lower cost while maintaining higher accuracy. Despite the promising properties of machine-based methods, the combination use of biological assay would still be necessary. With wider application of more efficient strategies, target identification, as well as drug discovery process, would gain more rapid development.

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 categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Other design · Consensus signal: none
GenreCandidate signal: Review · Consensus signal: none
Teacher disagreement score0.834
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0010.003
Open science0.0020.000
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 head0.101
GPT teacher head0.436
Teacher spread0.335 · 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 designOther design
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

Citations11
Published2021
Admission routes1
Has abstractyes

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