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ersiliaos/eos2e3s

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By Ersilia Open Source Initiative

Updated about 2 months ago

Ersilia Model Hub Identifier: eos2e3s

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ersiliaos/eos2e3s repository overview

Antimicrobial activity prediction against Pseudomonas aeruginosa from public ChEMBL data

Bioactivity prediction of growth inhibition in Pseudomonas aeruginosa, trained as binary (active/inactive) classifiers from publicly available data in ChEMBL. Independent models are trained on multiple bioactivity datasets, corresponding to single-point (Inhibition) and dose-response (MIC) assays, among others. A ranking score is provided for each model alongside a combined consensus score.

This model was incorporated on 2026-05-19.Last packaged on 2026-07-22.

Information

Identifiers
  • Ersilia Identifier: eos2e3s
  • Slug: antimicrobial-activity-paeruginosa
Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Antimicrobial resistance, Pneumonia
  • Target Organism: Pseudomonas aeruginosa
  • Tags: Gram-negative bacteria, ESKAPE, Antimicrobial activity, ChEMBL
Input
  • Input: Compound
  • Input Dimension: 1
Output
  • Output Dimension: 15
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Pseudomonas aeruginosa from 14 ChEMBL-trained sub-models, plus a quality-weighted consensus score.

Below are the Output Columns of the model:

NameTypeDirectionDescription
consensus_scorefloathighTanh-transformed quality-weighted consensus probability across the 14 sub-models. Recommended threshold: 0.848.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 185 assays (2222 compounds). Recommended threshold: 0.851.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 61 assays (859 compounds). Recommended threshold: 0.631.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 86 assays (852 compounds). Recommended threshold: 0.734.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 56 assays (815 compounds). Recommended threshold: 0.656.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 63 assays (739 compounds). Recommended threshold: 0.587.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 29 assays (418 compounds). Recommended threshold: 0.594.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 902 assays (10556 compounds). Recommended threshold: 0.838.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 753 assays (9559 compounds). Recommended threshold: 0.745.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 486 assays (5179 compounds). Recommended threshold: 0.701.

10 of 15 columns are shown

Source and Deployment
Resource Consumption
  • Model Size (Mb): 248
  • Environment Size (Mb): 7208
  • Image Size (Mb): 7467.75

Computational Performance (seconds):

  • 10 inputs: 57.6
  • 100 inputs: 57.37
  • 10000 inputs: 1607.66
References
License

This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a GPL-3.0-or-later license.

Notice: Ersilia grants access to models as is, directly from the original authors, please refer to the original code repository and/or publication if you use the model in your research.

Use

To use this model locally, you need to have the Ersilia CLI installed. The model can be fetched using the following command:

# fetch model from the Ersilia Model Hub
ersilia fetch eos2e3s

Then, you can serve, run and close the model as follows:

# serve the model
ersilia serve eos2e3s
# generate an example file
ersilia example -n 3 -f my_input.csv
# run the model
ersilia run -i my_input.csv -o my_output.csv
# close the model
ersilia close

About Ersilia

The Ersilia Open Source Initiative is a tech non-profit organization fueling sustainable research in the Global South. Please cite the Ersilia Model Hub if you've found this model to be useful. Always let us know if you experience any issues while trying to run it. If you want to contribute to our mission, consider donating to Ersilia!

Tag summary

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Last updated

about 2 months ago

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