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emba

Analysis and visualization of an ensemble of boolean models for biomarker discovery in cancer cell networks.

The package allows to easily load the simulation data results of the DrugLogics software pipeline that is used to predict synergistic drug combinations in cancer cell lines. It has generic functions that can be used to split a boolean model dataset to model groups with regards to the models predictive performance (number of true positive predictions/Matthews correlation coefficient score) or synergy prediction based on a given set of gold standard synergies and find the average activity difference per network node between all model group pairs. Thus, given user-specific thresholds, important nodes (biomarkers) can be accessed in the sense that they make the models predict specific synergies (synergy biomarkers) or have better performance in general (performance biomarkers).

Lastly, if the boolean models have a specific equation form and differ only in their link operator, link operator biomarkers can also be found.

Install

CRAN version:

install.packages("emba")

Development version:

remotes::install_github("bblodfon/emba")

Usage

Check the Get Started guide.

For an earlier example usage of this package (version 0.1.1), see this analysis performed on multiple boolean model datasets.

Cite

  • Formatted citation:

Zobolas et al., (2020). emba: R package for analysis and visualization of biomarkers in boolean model ensembles. Journal of Open Source Software, 5(53), 2583, https://doi.org/10.21105/joss.02583

  • BibTeX citation:
@article{Zobolas2020,
  doi = {10.21105/joss.02583},
  url = {https://doi.org/10.21105/joss.02583},
  year = {2020},
  publisher = {The Open Journal},
  volume = {5},
  number = {53},
  pages = {2583},
  author = {John Zobolas and Martin Kuiper and Åsmund Flobak},
  title = {emba: R package for analysis and visualization of biomarkers in boolean model ensembles},
  journal = {Journal of Open Source Software}
}

Code of Conduct

Please note that the emba project is released with a Contributor Code of Conduct. By contributing to this project, you agree to abide by its terms.

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Version

Install

install.packages('emba')

Monthly Downloads

65

Version

0.1.8

License

MIT + file LICENSE

Issues

Pull Requests

Stars

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Maintainer

John Zobolas

Last Published

January 7th, 2021

Functions in emba (0.1.8)

add_numbers_above_the_bars

Add numbers horizontally above the bars of a barplot
calculate_models_synergies_fp

Count the predictions of the non-synergistic drug combinations per model (FP)
calculate_models_mcc

Calculate the Matthews correlation coefficient for each model
assign_link_operator_value_to_equation

Assign link operator value to boolean equation
calculate_models_synergies_fn

Count the non-synergies of the observed synergies per model (FN)
biomarker_mcc_analysis

Biomarker analysis based on MCC model classification
calculate_models_synergies_tn

Count the non-synergies of the non-synergistic drug combinations per model (TN)
biomarker_synergy_analysis

Biomarker analysis per synergy predicted
biomarker_tp_analysis

Biomarker analysis based on TP model classification
calculate_mcc

Calculate Matthews correlation coefficient vector
count_models_that_predict_synergies

Count models that predict a set of synergies
get_alt_drugname

Get alternative drug combination name
filter_network

Filter the network's vertices
emba

emba
get_avg_activity_diff_based_on_tp_predictions

Get the average activity difference based on the number of true positives
get_avg_activity_diff_based_on_synergy_set_cmp

Get the average activity difference based on the comparison of two synergy sets
calculate_models_synergies_tp

Count the predictions of the observed synergies per model (TP)
construct_network

Construct igraph network graph
get_avg_activity_diff_based_on_specific_synergy_prediction

Get average activity difference based on specific synergy prediction
get_avg_link_operator_diff_mat_based_on_mcc_clustering

Get average link operator difference matrix based on MCC clustering
get_avg_activity_diff_mat_based_on_tp_predictions

Get average activity difference matrix based on the number of true positives
get_avg_activity_diff_based_on_mcc_clustering

Get the average activity difference based on MCC clustering
get_avg_activity_diff_mat_based_on_mcc_clustering

Get average activity difference matrix based on MCC clustering
get_avg_activity_diff_mat_based_on_specific_synergy_prediction

Get average activity difference matrix based on specific synergy prediction
get_avg_link_operator_diff_mat_based_on_tp_predictions

Get average link operator difference matrix based on the number of true positives
get_biomarkers

Get total biomarkers from average data differences matrix
get_observed_synergies

Load the observed synergies data
get_observed_model_predictions

Subset the model predictions to the (true) observed synergies
get_biomarkers_per_type

Get biomarkers from average data differences matrix (per type)
get_node_names

Get the node names
get_avg_link_operator_diff_based_on_synergy_set_cmp

Get the average link operator difference based on the comparison of two synergy sets
get_node_colors

Get the node colors
get_model_names

Get the model names
get_model_predictions

Load the models predictions data
get_stable_state_from_models_dir

Load the models stable state data
get_models_based_on_mcc_class_id

Get models based on the MCC class id
get_unobserved_model_predictions

Subset the model predictions to the (false) non-observed synergies
get_avg_link_operator_diff_mat_based_on_specific_synergy_prediction

Get average link operator difference matrix based on specific synergy prediction
get_neighbors

Get neighbor nodes
get_synergy_biomarkers_from_dir

Get synergy biomarkers from dir
get_synergy_biomarkers_per_cell_line

Get synergy biomarkers per cell line
get_synergy_comparison_sets

Get synergy comparison sets
get_synergy_scores

Get synergy scores from file
get_synergy_subset_stats

Find the number of predictive models for every synergy subset
get_edges_from_topology_file

Get the edges from a specified topology
make_barplot_on_models_stats

Bar plot of model stats
print_model_and_drug_stats

Print model and drug statistics
print_biomarkers_per_predicted_synergy

Print biomarkers for each predicted synergy
plot_avg_link_operator_diff_graphs

Plot the graphs from an average link operator differences matrix
plot_avg_link_operator_diff_graph

Plot the graph of average link operator differences (igraph)
plot_mcc_classes_hist

Plot histogram of the MCC classes
plot_avg_state_diff_graphs

Plot the graphs from an average state differences matrix
plot_avg_state_diff_graph

Plot the graph of average state differences (igraph)
plot_avg_state_diff_graph_vis

Plot the graph of average state differences (visNetwork)
get_vector_diff

Calculate difference vector with penalty term
get_x_axis_values

Get the refined x-axis values
get_perf_biomarkers_per_cell_line

Get performance biomarkers per cell line
get_fitness_from_models_dir

Load the models fitness scores
get_observed_synergies_per_cell_line

Get observed synergies per cell line
get_link_operators_from_models_dir

Load the models boolean equation link operator data
is_comb_element_of

Is drug combination element of given vector?
update_biomarker_files

Update biomarker files for a specific synergy
validate_observed_synergies_data

Validate observed synergies data
make_barplot_on_synergy_subset_stats

Bar plot of observed synergy subsets