Supplementary Information
S4. Reagents and algorithms
A methods table. Bench first, then the model.
The article gives the governing equations. This supplement lists what actually went into the flask: wet-lab technique, statistical tests, Bioconductor packages, and the learners used to rank biomarkers.
Equation (S1) is the practical objective of the RA programme: choose a small feature set that still classifies. The tools below are how that set is reached.
S4.1 Wet Lab Techniques
Foundations · Bench skills
Hands-on molecular biology training from undergraduate and graduate coursework: preparing, amplifying, and visualizing nucleic acid samples at the bench before they ever reach a script.
Used. PCR, Gel electrophoresis, DNA/RNA extraction.
S4.2 Programming & Scripting
Foundations · Languages & tooling
The scripting bench everything downstream runs on: R and Python for analysis, SQL for structured data, and Linux/Jupyter for reproducible execution.
Used. R, Python, SQL / NoSQL, Linux, Jupyter notebooks, Command-line tools, pandas / NumPy, BeautifulSoup (web scraping).
S4.3 Statistics & Data Analysis
Core Analysis · Inference
Descriptive and inferential statistics used to validate assumptions and test relationships before any model gets trained, from hypothesis tests to correlation and regression.
Used. Hypothesis testing (t-test, ANOVA), Chi-square / Kolmogorov-Smirnov, Pearson / Spearman correlation, Linear regression, Descriptive statistics, Exploratory data analysis (EDA).
S4.4 Data Science & Visualization
Core Analysis · Communication
Turning cleaned data into decision-ready insight, from client-facing dashboards to publication-style plots.
Used. ggplot2, Matplotlib / Seaborn / Plotly, Tableau / Power BI, Data mining.
S4.5 Genomics & Transcriptomics
Domain Bioinformatics · RNA & sequencing
Differential expression with DESeq2 (moderated fold-change and dispersion estimation) and limma, plus edgeR for count-based modeling, ChIP-seq, and CRISPR guide design for functional follow-up.
Used. RNA-seq, Microarray analysis, DESeq2, limma, edgeR, samtools, ChIP-seq analysis, clusterProfiler (pathway enrichment), CRISPR-Cas9 guide design, Heatmap/volcano/PCA visualization.
Also known. FastQC / MultiQC, STAR / HISAT2, Salmon, CRISPOR / CHOPCHOP.
S4.6 Methylomics & Epigenomics
Domain Bioinformatics · Epigenetics
DNA methylation signal pulled from public GEO series and integrated alongside transcriptomic data to strengthen candidate biomarker panels.
Used. DNA methylation analysis, GEOquery data retrieval, Methylomics preprocessing.
Also known. Bismark, methylKit, minfi.
S4.7 Proteomics & Molecular Docking
Domain Bioinformatics · Structure
Structure-based virtual screening with AutoDock and PyMOL, evaluating how small-molecule candidates bind disease-relevant protein targets.
Used. Molecular docking, AutoDock, PyMOL, Virtual/in-silico screening, Binding-affinity scoring.
Also known. AutoDock Vina, Open Babel.
S4.8 Multi-Omics & Cross-Omics Integration
Domain Bioinformatics · Integration
Combining transcriptomic, methylomic, and genomic layers into one model, including WGCNA co-expression networks and Mendelian randomization for causal inference.
Used. Horizontal/vertical/gene-level integration, WGCNA (co-expression networks), TwoSampleMR (Mendelian randomization), Feature selection (Boruta, LASSO).
Also known. mixOmics, MOFA (Multi-Omics Factor Analysis).
S4.9 Machine Learning & Modeling
Advanced & Applied · Predictive modeling
Supervised and unsupervised modeling for biomarker classification, from classical ensembles to deep learning and generative networks for synthetic data.
Used. Logistic regression, Random forest, XGBoost, SVM / KNN, Gradient boosting, Deep neural networks, CNN (image classification), GANs (TensorFlow/PyTorch), Hyperparameter tuning, SMOTE / class balancing, scikit-learn.
S4.10 Web Development
Advanced & Applied · Applications
Shiny applications that wrap DESeq2/limma pipelines into interactive dashboards, so lab members can explore results without running R scripts themselves.
Used. R Shiny, Interactive dashboards, Web application deployment.
S4.11 AI Model Evaluation & Review Writing
Advanced & Applied · AI research support, Mercor
Learned through hands-on AI-lab evaluation work at Mercor: designing rubrics, judging model-generated bioinformatics analyses, and writing structured, evidence-based reviews of AI outputs.
Used. Rubric and evaluation-criteria design, Model-output review writing, Benchmark task design, Annotation quality assurance, Human-in-the-loop AI workflows.
S4.12 AI Tools & Productivity
Advanced & Applied · Workflow
AI assistants used day to day to move faster, from building this portfolio to code review and research synthesis.
Used. Claude (Claude Code), GitHub Copilot, Perplexity, NotebookLM.