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ersiliaos/eos5eya

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By Ersilia Open Source Initiative

•Updated about 17 hours 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 2026-10-05.

⁠Information

⁠Identifiers
  • Ersilia Identifier: eos5eya
  • Slug: antimicrobial-activity-ecoli
⁠Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Diarrheal diseases, Antimicrobial resistance
  • 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_scorefloathighQuality-weighted consensus across the 12 sub-models on the same rank scale as the sub-models. Calibrated against a reference library of 50K drug-like molecules so that a score of 0.65 is better than 99% of them. Recommended threshold: 0.65.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 203 assays (2181 compounds). Recommended threshold: 0.65.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 171 assays (1935 compounds). Recommended threshold: 0.65.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 131 assays (1618 compounds). Recommended threshold: 0.65.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 92 assays (1432 compounds). Recommended threshold: 0.65.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 64 assays (872 compounds). Recommended threshold: 0.65.
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: 0.65.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 1675 assays (23876 compounds). Recommended threshold: 0.65.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 962 assays (11542 compounds). Recommended threshold: 0.65.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 591 assays (7935 compounds). Recommended threshold: 0.65.

10 of 13 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 576
  • Environment Size (Mb): 7982
  • Image Size (Mb): 8578.32

Computational Performance (seconds):

  • 10 inputs: 55.2
  • 100 inputs: 48.92
  • 10000 inputs: 1568.63
⁠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!

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Image

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sha256:796d0f63f…

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4.1 GB

Last updated

about 17 hours ago

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