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  "Package": "ViralEntropR",
  "Title": "A Computational Pipeline for Entropy-Informed Detection of\nEmerging Viral Variants",
  "Version": "0.6.2",
  "Authors@R": "c(\nperson(\"Vadim\", \"Tyuryaev\", ,\"vadim.tyuryaev@gmail.com\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0009-0008-1361-6265\")),\nperson(\"Jane\", \"Heffernan\", , \"jmheffer@yorku.ca\",\nrole = c(\"aut\")),\nperson(\"Hanna\", \"Jankowski\", , \"hkj@yorku.ca\",\nrole = c(\"aut\"))\n)",
  "Description": "Implements an entropy-informed pipeline for detecting\nemerging variants in viral amino acid sequence data, extending\nprior clustering-based approaches including hemagglutinin\nclustering methods (Li et al., 2015)\n<doi:10.1142/9789814667944_0018>. Provides a fully vectorized\nFASTA preprocessing toolkit covering header parsing, two-pass\ndate and country extraction, ambiguous-residue filtering, and\ninteger encoding under a 25-symbol amino acid alphabet.\nComputes per-site Shannon entropy across user-defined\ncumulative, sliding, or disjoint temporal partitions and\nclusters per-site entropy values using Gaussian mixture models\nvia 'mclust' (Scrucca et al., 2016) <doi:10.32614/RJ-2016-021>.\nQuantifies temporal distributional shifts between partitions\nusing the Hellinger distance (van der Vaart, 1998)\n<doi:10.1017/CBO9780511802256>, and detects temporal change\npoints non-parametrically using energy statistics (Matteson and\nJames, 2014) <doi:10.1080/01621459.2013.849605> via 'ecp' or\nwild binary segmentation (Fryzlewicz, 2014)\n<doi:10.1214/14-AOS1245> via 'HDcpDetect'. Per-site amino-acid\nfrequency tables and entropy trajectory plots characterize\nsequence composition and evolutionary dynamics across time. A\nconfigurable multi-variant simulation engine generates\nsynthetic sequence time series with known ground truth for\nbenchmarking detection pipelines. A curated dataset of\nSARS-CoV-2 Variants of Concern and Variants of Interest with\nassociated lineage and surveillance metadata is included, along\nwith a bundled National Center for Biotechnology Information\n(NCBI) Spike protein sample and vignettes demonstrating the\nfull workflow.",
  "License": "MIT + file LICENSE",
  "Language": "en-GB",
  "Date": "2026-05-07",
  "URL": "https://github.com/vadimtyuryaev/ViralEntropR,\nhttps://doi.org/10.5281/zenodo.19040165,\nhttps://vadimtyuryaev.github.io/ViralEntropR/",
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  "Repository": "https://vadimtyuryaev.r-universe.dev",
  "Date/Publication": "2026-05-31 07:23:55 UTC",
  "RemoteUrl": "https://github.com/vadimtyuryaev/viralentropr",
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  "Author": "Vadim Tyuryaev [aut, cre] (ORCID:\n<https://orcid.org/0009-0008-1361-6265>),\nJane Heffernan [aut],\nHanna Jankowski [aut]",
  "Maintainer": "Vadim Tyuryaev <vadim.tyuryaev@gmail.com>",
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    "change-point-detection",
    "clustering",
    "computational-biology",
    "covid-19",
    "fasta",
    "functional-data-analysis",
    "gaussian-mixture-models",
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  "_exports": [
    "calculate_entropy",
    "calculate_hellinger_matrix",
    "cluster_sites_by_entropy",
    "decode_aa_sequence",
    "detect_changepoints_ecp",
    "detect_changepoints_hdcp",
    "encode_aa_sequence",
    "extract_fasta_countries",
    "extract_fasta_dates",
    "fasta_to_char_matrix",
    "filter_ambiguous_sequences",
    "partition_time_windows",
    "plot_entropy_trajectories",
    "plot_site_class_trajectory",
    "relabel_entropy_classes",
    "simulate_variant_evolution",
    "tabulate_site_evolution"
  ],
  "_datasets": [
    {
      "name": "sarscov2_variants",
      "title": "SARS-CoV-2 VOC/VOI Curated Variant Metadata",
      "object": "sarscov2_variants",
      "class": [
        "list"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    }
  ],
  "_help": [
    {
      "page": "calculate_entropy",
      "title": "Calculate Shannon Entropy",
      "topics": [
        "calculate_entropy"
      ]
    },
    {
      "page": "calculate_hellinger_matrix",
      "title": "Calculate Hellinger Distance Matrix",
      "topics": [
        "calculate_hellinger_matrix"
      ]
    },
    {
      "page": "cluster_sites_by_entropy",
      "title": "Cluster a Univariate Numeric Vector by Gaussian Mixture Model",
      "topics": [
        "cluster_sites_by_entropy"
      ]
    },
    {
      "page": "decode_aa_sequence",
      "title": "Decode Amino Acid Sequences",
      "topics": [
        "decode_aa_sequence"
      ]
    },
    {
      "page": "detect_changepoints_ecp",
      "title": "Detect Temporal Change Points (ECP)",
      "topics": [
        "detect_changepoints_ecp"
      ]
    },
    {
      "page": "detect_changepoints_hdcp",
      "title": "Detect Temporal Change Points (HDcpDetect)",
      "topics": [
        "detect_changepoints_hdcp"
      ]
    },
    {
      "page": "encode_aa_sequence",
      "title": "Encode Amino Acid Sequences",
      "topics": [
        "encode_aa_sequence"
      ]
    },
    {
      "page": "extract_fasta_countries",
      "title": "Extract Countries from FASTA Sequence Names",
      "topics": [
        "extract_fasta_countries"
      ]
    },
    {
      "page": "extract_fasta_dates",
      "title": "Extract Dates from FASTA Sequence Names",
      "topics": [
        "extract_fasta_dates"
      ]
    },
    {
      "page": "fasta_to_char_matrix",
      "title": "Convert FASTA Object to Character Matrix",
      "topics": [
        "fasta_to_char_matrix"
      ]
    },
    {
      "page": "filter_ambiguous_sequences",
      "title": "Remove Sequences Containing Ambiguous Residues",
      "topics": [
        "filter_ambiguous_sequences"
      ]
    },
    {
      "page": "partition_time_windows",
      "title": "Partition Data into Time Windows",
      "topics": [
        "partition_time_windows"
      ]
    },
    {
      "page": "plot_entropy_trajectories",
      "title": "Plot Shannon Entropy Trajectories",
      "topics": [
        "plot_entropy_trajectories"
      ]
    },
    {
      "page": "plot_site_class_trajectory",
      "title": "Plot GMM Entropy Class Trajectory for a Single Site",
      "topics": [
        "plot_site_class_trajectory"
      ]
    },
    {
      "page": "relabel_entropy_classes",
      "title": "Relabel Entropy Classes",
      "topics": [
        "relabel_entropy_classes"
      ]
    },
    {
      "page": "sarscov2_sample",
      "title": "SARS-CoV-2 Surface Glycoprotein Sequences - NCBI Demo Sample",
      "topics": [
        "sarscov2_sample"
      ]
    },
    {
      "page": "sarscov2_variants",
      "title": "SARS-CoV-2 VOC/VOI Curated Variant Metadata",
      "topics": [
        "sarscov2_variants"
      ]
    },
    {
      "page": "simulate_variant_evolution",
      "title": "Simulate Viral Variant Evolution",
      "topics": [
        "simulate_variant_evolution"
      ]
    },
    {
      "page": "tabulate_site_evolution",
      "title": "Tabulate Site Frequency Evolution",
      "topics": [
        "tabulate_site_evolution"
      ]
    }
  ],
  "_readme": "https://github.com/vadimtyuryaev/viralentropr/raw/HEAD/README.md",
  "_rundeps": [
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      "source": "detecting_variants_simulation.html.asis",
      "filename": "detecting_variants_simulation.html",
      "title": "Entropy Clustering, Hellinger Distance, and Change Point Analysis for Emerging Viral Variant Detection: A Simulation Study",
      "engine": "R.rsp::asis",
      "headings": [
        "Entropy Clustering, Hellinger Distance, and\nChange Point Analysis for Emerging Viral Variant Detection: A Simulation\nStudy",
        "1 Introduction",
        "2 Setup",
        "3 Reference Sequence",
        "4 Simulation via\nsimulate_variant_evolution()",
        "4.1 Simulate Data",
        "4.2 Check the Pool",
        "4.3 Emergence Periods and\nSites",
        "4.4 Deleterious Periods\nand Sites",
        "4.5 Inspecting the\nSimulation Output",
        "4.6 Reference Phase 1\n(month 1)",
        "4.7 Reference Phase 4\n(month 4)",
        "4.8\nVariant 1 Phase 1 (month 5): sites 12, 15",
        "4.9\nVariant 1 Phase 2 (month 6): sites 12, 15",
        "4.10\nVariant 1 Phase 4 (month 8): sites 12, 15",
        "4.11\nVariant 2 Phase 1 (month 9): sites 6, 13, 23",
        "4.12\nVariant 2 Phase 5 (month 13): sites 6, 13, 23",
        "4.13\nVariant 3 Phase 1 (month 14): sites 5, 14, 16, 24",
        "5 Sites Detection and\nChange Point Detection",
        "5.1 Encoding",
        "5.2 Partitioning",
        "5.3 Hellinger Distance\n(HD)",
        "5.4 Change Point\nDetection",
        "6 Conclusion",
        "References"
      ],
      "created": "2026-05-05 03:45:10",
      "modified": "2026-05-08 02:45:29",
      "commits": 2
    },
    {
      "source": "preprocessing_pipeline.html.asis",
      "filename": "preprocessing_pipeline.html",
      "title": "NCBI SARS-CoV-2 Spike Protein Sequence Preprocessing: From Raw FASTA to an Analysis-Ready Integer-Encoded Matrix",
      "engine": "R.rsp::asis",
      "headings": [
        "NCBI SARS-CoV-2 Spike Protein Sequence\nPreprocessing: From Raw FASTA to an Analysis-Ready Integer-Encoded\nMatrix",
        "1 Introduction",
        "2 Setup",
        "3 Step 1: Load the FASTA\nDataset",
        "3.1 Download Data",
        "3.2 Update Path",
        "3.3 Read FASTA file",
        "3.4 Curated metadata for\n12 SARS-CoV-2 VOCs and VOIs",
        "3.5 Bundled FASTA\nsample",
        "4 Step 2: Canonical Spike\nProtein Length",
        "5 Step 3: Extract and\nValidate Collection Dates",
        "5.1 Initial Date\nExtraction (yyyy-mm-dd)",
        "5.2 Second Pass: yyyy-mm\nExtraction",
        "5.3 Date Distribution\n(Before Ambiguous Residue Filtering)",
        "6 Step 4: Extract and\nValidate Countries",
        "7 Step 5: Convert,\nFilter, and Encode the Sequence Matrix",
        "7.1 Convert FASTA to\nCharacter Matrix",
        "7.2 Filter Ambiguous\nResidues",
        "7.3 Encode Amino Acids to\nIntegers",
        "8 Step 6: Assemble the\nFinal Data Frame",
        "8.1 Date Distribution\n(After Filtering)",
        "8.2 Filter\nUS Sequences and Save",
        "9 Downstream\nAnalysis",
        "10 Pipeline Summary",
        "References"
      ],
      "created": "2026-05-05 03:45:10",
      "modified": "2026-05-08 02:45:29",
      "commits": 2
    },
    {
      "source": "clustering_accuracy.html.asis",
      "filename": "clustering_accuracy.html",
      "title": "Unsupervised Recovery of SARS-CoV-2 Variant Structure via Entropy-Driven Site Selection and PAM Clustering: Precision, Recall, and F1 Evaluation Across Wild-Type and Delta-Dominated Surveillance Periods",
      "engine": "R.rsp::asis",
      "headings": [
        "Unsupervised Recovery of SARS-CoV-2 Variant\nStructure via Entropy-Driven Site Selection and PAM Clustering:\nPrecision, Recall, and F1 Evaluation Across Wild-Type and\nDelta-Dominated Surveillance Periods",
        "1 Introduction",
        "1.1 Definitions",
        "1.2 Accuracy Study\nLogic",
        "2 Libraries",
        "3 Global Parameters",
        "4 Load Preprocessed\nData",
        "4.1 Country Filter",
        "5 Step 1: Data\nPartitioning",
        "5.1 Partition into Two\nTime Windows (Wild-Type vs Delta)",
        "5.2 Per-Period Entropy\nClustering",
        "6 Step 2: Combine Both\nPartitions",
        "6.1 Analyze the Selected\nSites",
        "6.2 Cross-Reference with\nKnown Variant Sites",
        "7 Step 3: PAM Clustering\nwith Gower Distance",
        "7.1 Prepare Feature\nMatrix",
        "7.2 Gower Distance\nMatrix",
        "7.3 Silhouette\nAnalysis",
        "8 Step 4: PAM Fitting and\nt-SNE Visualisation",
        "8.1 t-SNE Embedding",
        "8.2 VOC SNP Matching\nHelpers",
        "8.3 t-SNE Plot\nFunction",
        "8.4 PAM and Medoid\nAnalysis",
        "8.5 PAM k = 2",
        "8.6 PAM k = 3",
        "8.7 PAM k = 4",
        "8.8 PAM k = 9",
        "9 Step 5: Modal Amino\nAcid Profile per Cluster",
        "10 Step 6: Precision,\nRecall and F1 Score",
        "11 Step 7: Site\nDifferentiation — Wild-Type Cluster vs Later Clusters",
        "11.1 Annotation\nhelper",
        "11.2 Contrasts\ncalculation",
        "11.3 Biological\nInterpretation of Key Differentiating Sites",
        "12 Step 8: Borderline\nPeriod 1 Sequences",
        "13 Step 9: Full-Dataset\nClustering (All 109,536 Sequences)",
        "13.1 Site Selection on\nFull Dataset",
        "13.2 Gower Distance",
        "13.3 Silhouette\nAnalysis",
        "13.4 PAM Fitting",
        "13.5 t-SNE\nVisualisation",
        "13.6 Full Dataset PAM k =\n6",
        "13.7 Full Dataset PAM k =\n7",
        "13.8 Full Dataset PAM k =\n9",
        "14 Summary (Clustering\nAccuracy)",
        "15 Conclusions",
        "15.1 Clustering Accuracy\nStudy (Steps 1–8)",
        "15.2 Full-Dataset\nClustering: Global Separation Patterns (Step 9)",
        "References"
      ],
      "created": "2026-05-05 03:45:10",
      "modified": "2026-05-08 02:45:29",
      "commits": 2
    }
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