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ersiliaos/eos8lcw

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By Ersilia Open Source Initiative

Updated about 2 months ago

Ersilia Model Hub Identifier: eos8lcw

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ersiliaos/eos8lcw repository overview

Antimicrobial activity prediction against Staphylococcus aureus from public ChEMBL and PubChem data

Bioactivity prediction of growth inhibition in Staphylococcus aureus, 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: eos8lcw
  • Slug: antimicrobial-activity-saureus
Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Antimicrobial resistance, Pneumonia
  • Target Organism: Staphylococcus aureus
  • Tags: Gram-positive bacteria, ESKAPE, Antimicrobial activity, ChEMBL
Input
  • Input: Compound
  • Input Dimension: 1
Output
  • Output Dimension: 19
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Staphylococcus aureus from 18 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 18 sub-models. Recommended threshold: 0.791.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 257 assays (2660 compounds). Recommended threshold: 0.779.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 191 assays (1861 compounds). Recommended threshold: 0.589.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 154 assays (1775 compounds). Recommended threshold: 0.638.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 79 assays (1058 compounds). Recommended threshold: 0.684.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 69 assays (981 compounds). Recommended threshold: 0.586.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 106 assays (959 compounds). Recommended threshold: 0.747.
chembl_single_point_6floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 11 assays (266 compounds). Recommended threshold: 0.608.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 2733 assays (29133 compounds). Recommended threshold: 0.665.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 1546 assays (14627 compounds). Recommended threshold: 0.612.

10 of 19 columns are shown

Source and Deployment
Resource Consumption
  • Model Size (Mb): 1013
  • Environment Size (Mb): 7208
  • Image Size (Mb): 8190.87

Computational Performance (seconds):

  • 10 inputs: 65.31
  • 100 inputs: 61.89
  • 10000 inputs: -1
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 eos8lcw

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

# serve the model
ersilia serve eos8lcw
# 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

Content type

Image

Digest

sha256:f8111896b

Size

3.9 GB

Last updated

about 2 months ago

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