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ersiliaos/eos2e3s

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By Ersilia Open Source Initiative

•Updated about 3 hours 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 2026-10-06.

⁠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_scorefloathighQuality-weighted consensus across the 14 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 185 assays (2222 compounds). Recommended threshold: 0.65.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 61 assays (859 compounds). Recommended threshold: 0.65.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 86 assays (852 compounds). Recommended threshold: 0.65.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 56 assays (815 compounds). Recommended threshold: 0.65.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 63 assays (739 compounds). Recommended threshold: 0.65.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 29 assays (418 compounds). Recommended threshold: 0.65.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 902 assays (10556 compounds). Recommended threshold: 0.65.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 753 assays (9559 compounds). Recommended threshold: 0.65.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 486 assays (5179 compounds). Recommended threshold: 0.65.

10 of 15 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 293
  • Environment Size (Mb): 7982
  • Image Size (Mb): 8272.19

Computational Performance (seconds):

  • 10 inputs: 56.16
  • 100 inputs: 49.04
  • 10000 inputs: 1632.47
⁠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

Content type

Image

Digest

sha256:24a6b6122…

Size

4 GB

Last updated

about 3 hours ago

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