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Record W4405310965 · doi:10.1016/j.jbi.2024.104762

Novel machine learning model for predicting cancer drugs’ susceptibilities and discovering novel treatments

2024· article· en· W4405310965 on OpenAlexafffund
Xiaowen Cao, Li Xing, Hao Ding, He Li, Yushan Hu, Yao Dong, Hua He, Junhua Gu, Xuekui Zhang

Bibliographic record

VenueJournal of Biomedical Informatics · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsUniversity of SaskatchewanUniversity of Victoria
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsNatural Science Foundation of Tianjin CityChina Scholarship CouncilNational Natural Science Foundation of ChinaMichael Smith Health Research BC
KeywordsCancer drugsMachine learningCancerComputer scienceCancer treatmentAffect (linguistics)Artificial intelligenceDrugData scienceBioinformaticsMedicineComputational biologyPharmacologyPsychologyBiologyInternal medicine

Abstract

fetched live from OpenAlex

BACKGROUND AND OBJECTIVE: Timely treatment is crucial for cancer patients, so it's important to administer the appropriate treatment as soon as possible. Because individuals can respond differently to a given drug due to their unique genomic profiles, we aim to use their genomic information to predict how various drugs will affect them and determine the best course of treatment. METHODS: We present Kernelized Residual Stacking (KRS), a new multi-task learning approach, and use it to predict the responses to anti-cancer drugs based on genomic data. We demonstrate the superior predictive performance of KRS, outperforming popular competitors, by utilizing the Genomics of Drug Sensitivity in Cancer (GDSC) study and the Cancer Cell Line Encyclopedia (CCLE) study. Downstream analysis of feature genes selected by KRS is conducted to discover novel therapies. RESULTS: We used two genomic studies to show that KRS outperforms a few popular competitors in predicting drugs' susceptibilities. Through downstream analysis of feature genes selected by KRS, we found that the PI3K-Akt pathway could alter drugs' susceptibilities, and its expression correlated positively with the hub gene ERBB2. We discovered eight novel small molecules based on these feature genes, which could be developed into novel combination therapies with anti-cancer drugs. CONCLUSIONS: KRS outperforms competitors in prediction performance and selects feature genes highly correlated with drugs' susceptibilities. Novel biological results are found by investigating KRS's feature genes.

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)0.001
metaresearch head score (Gemma)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.006
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.036
GPT teacher head0.332
Teacher spread0.297 · 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 designSimulation or modeling
Domainnot available
GenreEmpirical

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

Citations0
Published2024
Admission routes2
Has abstractyes

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