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DTF: Deep Tensor Factorization for predicting anticancer drug synergy

2020· article· en· W3102269903 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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueBioinformatics · 2020
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsCancerCare ManitobaResearch Institute in Oncology and HematologyUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of CanadaMitacs
KeywordsComputer scienceArtificial intelligenceMachine learningLogistic regressionDrugClassifier (UML)Artificial neural networkData miningPharmacologyBiology

Abstract

fetched live from OpenAlex

MOTIVATION: Combination therapies have been widely used to treat cancers. However, it is cost and time consuming to experimentally screen synergistic drug pairs due to the enormous number of possible drug combinations. Thus, computational methods have become an important way to predict and prioritize synergistic drug pairs. RESULTS: We proposed a Deep Tensor Factorization (DTF) model, which integrated a tensor factorization method and a deep neural network (DNN), to predict drug synergy. The former extracts latent features from drug synergy information while the latter constructs a binary classifier to predict the drug synergy status. Compared to the tensor-based method, the DTF model performed better in predicting drug synergy. The area under precision-recall curve (PR AUC) was 0.58 for DTF and 0.24 for the tensor method. We also compared the DTF model with DeepSynergy and logistic regression models, and found that the DTF outperformed the logistic regression model and achieved similar performance as DeepSynergy using several performance metrics for classification task. Applying the DTF model to predict missing entries in our drug-cell-line tensor, we identified novel synergistic drug combinations for 10 cell lines from the 5 cancer types. A literature survey showed that some of these predicted drug synergies have been identified in vivo or in vitro. Thus, the DTF model could be a valuable in silico tool for prioritizing novel synergistic drug combinations. AVAILABILITY AND IMPLEMENTATION: Source code and data are available at https://github.com/ZexuanSun/DTF-Drug-Synergy. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

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)0.000
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: Simulation or modeling
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.582
Threshold uncertainty score0.484

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
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 head0.029
GPT teacher head0.280
Teacher spread0.250 · 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