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Molecular Data Analysis

  • Sadaf Safder,
  • Saqib Ali

摘要

Molecular data analysis now spans the full stack: machine learning (ML) for pattern discovery, network biology for mechanism, and cloud-scale workflows for throughput. This chapter maps that stack. It starts with core learning paradigms and deep models, CNNs, RNNs, and Transformers for sequence and structure, then moves to gene regulatory and protein–protein networks with practical routes for inference from omics data. It details how genomics, transcriptomics, proteomics, and metabolomics align in multi-omics settings, and how cloud platforms, parallel file systems, and workflow engines keep data close to compute. Visualization runs through the narrative: 2D for fast inspection and 3D for structure that 2D can hide, with examples that tie embeddings to interpretation. Platforms for integration and reproducibility are reviewed alongside ethics, provenance, and data-sharing norms. This chapter closes with forward-looking pieces: 3D genome tools, AI-first multi-omics frameworks, and an outline of where quantum methods may enter molecular modeling. The focus is consistent: precise methods, context-aware models, clear visuals, and pipelines that scale, so signals agree across layers and produce testable biology.