Package: ViralEntropR 0.6.2

Vadim Tyuryaev

ViralEntropR: A Computational Pipeline for Entropy-Informed Detection of Emerging Viral Variants

Implements an entropy-informed pipeline for detecting emerging variants in viral amino acid sequence data, extending prior clustering-based approaches including hemagglutinin clustering methods (Li et al., 2015) <doi:10.1142/9789814667944_0018>. Provides a fully vectorized FASTA preprocessing toolkit covering header parsing, two-pass date and country extraction, ambiguous-residue filtering, and integer encoding under a 25-symbol amino acid alphabet. Computes per-site Shannon entropy across user-defined cumulative, sliding, or disjoint temporal partitions and clusters per-site entropy values using Gaussian mixture models via 'mclust' (Scrucca et al., 2016) <doi:10.32614/RJ-2016-021>. Quantifies temporal distributional shifts between partitions using the Hellinger distance (van der Vaart, 1998) <doi:10.1017/CBO9780511802256>, and detects temporal change points non-parametrically using energy statistics (Matteson and James, 2014) <doi:10.1080/01621459.2013.849605> via 'ecp' or wild binary segmentation (Fryzlewicz, 2014) <doi:10.1214/14-AOS1245> via 'HDcpDetect'. Per-site amino-acid frequency tables and entropy trajectory plots characterize sequence composition and evolutionary dynamics across time. A configurable multi-variant simulation engine generates synthetic sequence time series with known ground truth for benchmarking detection pipelines. A curated dataset of SARS-CoV-2 Variants of Concern and Variants of Interest with associated lineage and surveillance metadata is included, along with a bundled National Center for Biotechnology Information (NCBI) Spike protein sample and vignettes demonstrating the full workflow.

Authors:Vadim Tyuryaev [aut, cre], Jane Heffernan [aut], Hanna Jankowski [aut]

ViralEntropR_0.6.2.tar.gz
ViralEntropR_0.6.2.zip(r-4.7-any)ViralEntropR_0.6.2.zip(r-4.6-any)ViralEntropR_0.6.2.zip(r-4.5-any)
ViralEntropR_0.6.2.tgz(r-4.6-any)ViralEntropR_0.6.2.tgz(r-4.5-any)
ViralEntropR_0.6.2.tar.gz(r-4.7-any)ViralEntropR_0.6.2.tar.gz(r-4.6-any)
ViralEntropR_0.6.2.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
ViralEntropR/json (API)

# Install 'ViralEntropR' in R:
install.packages('ViralEntropR', repos = c('https://vadimtyuryaev.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/vadimtyuryaev/viralentropr/issues

Pkgdown/docs site:https://vadimtyuryaev.github.io

Datasets:

On CRAN:

Conda:

bioinformaticschange-point-detectionclusteringcomputational-biologycovid-19fastafunctional-data-analysisgaussian-mixture-modelsgenomic-surveillancegisaidhellinger-distancemolecular-epidemiologyncbisars-cov-2shannon-entropyspike-proteinvariant-detectionviral-evolutionviral-genomics

5.26 score 327 downloads 17 exports 56 dependencies

Last updated from:405acdac3e. Checks:9 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-develOK160
source / vignettesOK282
linux-releaseOK201
macos-releaseOK143
macos-oldrelOK213
windows-develOK113
windows-releaseOK99
windows-oldrelOK94
wasm-releaseOK113

Exports:calculate_entropycalculate_hellinger_matrixcluster_sites_by_entropydecode_aa_sequencedetect_changepoints_ecpdetect_changepoints_hdcpencode_aa_sequenceextract_fasta_countriesextract_fasta_datesfasta_to_char_matrixfilter_ambiguous_sequencespartition_time_windowsplot_entropy_trajectoriesplot_site_class_trajectoryrelabel_entropy_classessimulate_variant_evolutiontabulate_site_evolution

Dependencies:base64encbslibcachemclicpp11digestecpevaluatefarverfastmapfontawesomefsgenericsggplot2gluegtableHDcpDetecthighrhtmltoolsisobandjquerylibjsonlitekableExtraknitrlabelinglatticelifecyclelubridatemagrittrmclustmemoisemimeR6rappdirsRColorBrewerRcpprlangrmarkdownrstudioapiS7sassscalesstringistringrsvglitesystemfontstextshapingtimechangetinytexvctrsviridisLitewithrxfunxml2yamlzoo

Entropy Clustering, Hellinger Distance, and Change Point Analysis for Emerging Viral Variant Detection: A Simulation Study
Entropy Clustering, Hellinger Distance, and Change Point Analysis for Emerging Viral Variant Detection: A Simulation Study | 1 Introduction | 2 Setup | 3 Reference Sequence | 4 Simulation via simulate_variant_evolution() | 4.1 Simulate Data | 4.2 Check the Pool | 4.3 Emergence Periods and Sites | 4.4 Deleterious Periods and Sites | 4.5 Inspecting the Simulation Output | 4.6 Reference Phase 1 (month 1) | 4.7 Reference Phase 4 (month 4) | 4.8 Variant 1 Phase 1 (month 5): sites 12, 15 | 4.9 Variant 1 Phase 2 (month 6): sites 12, 15 | 4.10 Variant 1 Phase 4 (month 8): sites 12, 15 | 4.11 Variant 2 Phase 1 (month 9): sites 6, 13, 23 | 4.12 Variant 2 Phase 5 (month 13): sites 6, 13, 23 | 4.13 Variant 3 Phase 1 (month 14): sites 5, 14, 16, 24 | 5 Sites Detection and Change Point Detection | 5.1 Encoding | 5.2 Partitioning | 5.3 Hellinger Distance (HD) | 5.4 Change Point Detection | 6 Conclusion | References

Last update: 2026-05-08
Started: 2026-05-05

NCBI SARS-CoV-2 Spike Protein Sequence Preprocessing: From Raw FASTA to an Analysis-Ready Integer-Encoded Matrix
NCBI SARS-CoV-2 Spike Protein Sequence Preprocessing: From Raw FASTA to an Analysis-Ready Integer-Encoded Matrix | 1 Introduction | 2 Setup | 3 Step 1: Load the FASTA Dataset | 3.1 Download Data | 3.2 Update Path | 3.3 Read FASTA file | 3.4 Curated metadata for 12 SARS-CoV-2 VOCs and VOIs | 3.5 Bundled FASTA sample | 4 Step 2: Canonical Spike Protein Length | 5 Step 3: Extract and Validate Collection Dates | 5.1 Initial Date Extraction (yyyy-mm-dd) | 5.2 Second Pass: yyyy-mm Extraction | 5.3 Date Distribution (Before Ambiguous Residue Filtering) | 6 Step 4: Extract and Validate Countries | 7 Step 5: Convert, Filter, and Encode the Sequence Matrix | 7.1 Convert FASTA to Character Matrix | 7.2 Filter Ambiguous Residues | 7.3 Encode Amino Acids to Integers | 8 Step 6: Assemble the Final Data Frame | 8.1 Date Distribution (After Filtering) | 8.2 Filter US Sequences and Save | 9 Downstream Analysis | 10 Pipeline Summary | References

Last update: 2026-05-08
Started: 2026-05-05

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
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 | 1 Introduction | 1.1 Definitions | 1.2 Accuracy Study Logic | 2 Libraries | 3 Global Parameters | 4 Load Preprocessed Data | 4.1 Country Filter | 5 Step 1: Data Partitioning | 5.1 Partition into Two Time Windows (Wild-Type vs Delta) | 5.2 Per-Period Entropy Clustering | 6 Step 2: Combine Both Partitions | 6.1 Analyze the Selected Sites | 6.2 Cross-Reference with Known Variant Sites | 7 Step 3: PAM Clustering with Gower Distance | 7.1 Prepare Feature Matrix | 7.2 Gower Distance Matrix | 7.3 Silhouette Analysis | 8 Step 4: PAM Fitting and t-SNE Visualisation | 8.1 t-SNE Embedding | 8.2 VOC SNP Matching Helpers | 8.3 t-SNE Plot Function | 8.4 PAM and Medoid Analysis | 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 Acid Profile per Cluster | 10 Step 6: Precision, Recall and F1 Score | 11 Step 7: Site Differentiation — Wild-Type Cluster vs Later Clusters | 11.1 Annotation helper | 11.2 Contrasts calculation | 11.3 Biological Interpretation of Key Differentiating Sites | 12 Step 8: Borderline Period 1 Sequences | 13 Step 9: Full-Dataset Clustering (All 109,536 Sequences) | 13.1 Site Selection on Full Dataset | 13.2 Gower Distance | 13.3 Silhouette Analysis | 13.4 PAM Fitting | 13.5 t-SNE Visualisation | 13.6 Full Dataset PAM k = 6 | 13.7 Full Dataset PAM k = 7 | 13.8 Full Dataset PAM k = 9 | 14 Summary (Clustering Accuracy) | 15 Conclusions | 15.1 Clustering Accuracy Study (Steps 1–8) | 15.2 Full-Dataset Clustering: Global Separation Patterns (Step 9) | References

Last update: 2026-05-08
Started: 2026-05-05