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ersiliaos/eos5eya

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By Ersilia Open Source Initiative

Updated about 2 months ago

Ersilia Model Hub Identifier: eos5eya

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ersiliaos/eos5eya repository overview

Antimicrobial activity prediction against Escherichia coli from public ChEMBL and PubChem data

Bioactivity prediction of growth inhibition in Escherichia coli, trained as binary (active/inactive) classifiers from publicly available data in ChEMBL and PubChem. 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: eos5eya
  • Slug: antimicrobial-activity-ecoli
Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Diarrheal diseases
  • Target Organism: Escherichia coli
  • Tags: Gram-negative bacteria, Antimicrobial activity, ChEMBL
Input
  • Input: Compound
  • Input Dimension: 1
Output
  • Output Dimension: 13
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Escherichia coli from 12 ChEMBL- and PubChem-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 12 sub-models. Recommended threshold: 0.855.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 203 assays (2181 compounds). Recommended threshold: 0.714.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 171 assays (1935 compounds). Recommended threshold: 0.716.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 131 assays (1618 compounds). Recommended threshold: 0.767.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 92 assays (1432 compounds). Recommended threshold: 0.738.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 64 assays (872 compounds). Recommended threshold: 0.538.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 68 assays (814 compounds; incl. 66 added negatives). Recommended threshold: 0.545.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 1675 assays (23876 compounds). Recommended threshold: 0.751.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 962 assays (11542 compounds). Recommended threshold: 0.729.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 591 assays (7935 compounds). Recommended threshold: 0.707.

10 of 13 columns are shown

Source and Deployment
Resource Consumption
  • Model Size (Mb): 513
  • Environment Size (Mb): 7208
  • Image Size (Mb): 7784.05

Computational Performance (seconds):

  • 10 inputs: 59.13
  • 100 inputs: 53.82
  • 10000 inputs: 1534.9
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 eos5eya

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

# serve the model
ersilia serve eos5eya
# 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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Image

Digest

sha256:c33a0cedd

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3.8 GB

Last updated

about 2 months ago

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