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Record W4412726776 · doi:10.1021/acs.jcim.5c01219

protPheMut: An Interpretable Machine Learning Tool for Classification of Cancer and Neurodevelopmental Disorders in Human Missense Mutations

2025· article· en· W4412726776 on OpenAlexaff
Jingran Wang, Miao Yang, Chang Zong, Yuan Li, Gennady M. Verkhivker, Fei Xiao, Guang Hu

Bibliographic record

VenueJournal of Chemical Information and Modeling · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicGenomics and Rare Diseases
Canadian institutionsInstitute of Infection and Immunity
FundersHigh Level Innovation and Entrepreneurial Research Team Program in JiangsuNational Institutes of HealthPriority Academic Program Development of Jiangsu Higher Education InstitutionsNational Natural Science Foundation of China
KeywordsMissense mutationPTENPhenotypeComputational biologyGeneticsBiologyMutationCancerContext (archaeology)Machine learningPI3K/AKT/mTOR pathwayComputer scienceGeneSignal transduction

Abstract

fetched live from OpenAlex

Recent advances in human genomics have revealed that missense mutations in a single protein can lead to distinctly different phenotypes. In particular, some mutations in oncoproteins like MEK1, MEK2, PI3Kα, PTEN, SHAP2, and RAS are linked various cancers and neurodevelopmental disorders (NDDs). While numerous tools exist for predicting the pathogenicity of missense mutations, linking these mutations to certain phenotypes remains a major challenge, particularly in the context of personalized medicine. To fill this gap, we developed protPheMut (Protein Phenotypic Mutations Analyzer, http://netprotlab.com/protPheMut), leveraging interpretable machine learning approaches and enhancing model transparency through SHAP explanations, to integrate diverse biophysical and network dynamics-based signatures for predicting whether mutations in the same protein promote cancer or NDDs. Overall, proPheMut achieved an AUCROC of 0.9118 in cross-validation and 0.8925 on an independent test set for discriminating cancer- versus NDDs-related mutations. We further illustrate its utility in phenotype (cancer/NDDs) prediction by mutation analyses of two protein cases, PI3Kα and PTEN. Compared to seven other predictive tools, protPheMut demonstrated exceptional accuracy in forecasting phenotypic effects, achieving an AUROC of 0.8501 for PI3Kα mutations related to cancer and Cowden syndrome. For multi-phenotype prediction of PTEN mutations related to cancer, PHTS, and HCPS, protPheMut achieved an AUROC of 0.9349 through micro averaging. Using SHAP model explanations, protPheMut highlights the strength of network and dynamic features in deeper uncovering of the effects of pathogenic mutations, thus classifying different disease phenotypes.

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)0.000
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: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.905
Threshold uncertainty score0.151

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 communication0.0000.000
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 head0.011
GPT teacher head0.291
Teacher spread0.280 · 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.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
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

Citations1
Published2025
Admission routes1
Has abstractyes

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