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ersiliaos/eos6wb7

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By Ersilia Open Source Initiative

Updated about 2 months ago

Ersilia Model Hub Identifier: eos6wb7

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ersiliaos/eos6wb7 repository overview

Antimicrobial activity prediction against Klebsiella pneumoniae from public ChEMBL data

Bioactivity prediction of growth inhibition in Klebsiella pneumoniae, 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: eos6wb7
  • Slug: antimicrobial-activity-kpneumoniae
Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Antimicrobial resistance, Pneumonia
  • Target Organism: Klebsiella pneumoniae
  • Tags: Gram-negative bacteria, ESKAPE, Antimicrobial activity, ChEMBL
Input
  • Input: Compound
  • Input Dimension: 1
Output
  • Output Dimension: 11
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Klebsiella pneumoniae from 10 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 10 sub-models. Recommended threshold: 0.837.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 108 assays (1274 compounds). Recommended threshold: 0.878.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 39 assays (499 compounds). Recommended threshold: 0.658.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 43 assays (474 compounds). Recommended threshold: 0.621.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 34 assays (329 compounds). Recommended threshold: 0.558.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 22 assays (192 compounds). Recommended threshold: 0.524.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 526 assays (6242 compounds). Recommended threshold: 0.72.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 363 assays (3322 compounds). Recommended threshold: 0.818.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 160 assays (2377 compounds). Recommended threshold: 0.73.
chembl_dose_response_3floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 129 assays (1379 compounds). Recommended threshold: 0.622.

10 of 11 columns are shown

Source and Deployment
Resource Consumption
  • Model Size (Mb): 149
  • Environment Size (Mb): 7208
  • Image Size (Mb): 7339.08

Computational Performance (seconds):

  • 10 inputs: 51.42
  • 100 inputs: 44.78
  • 10000 inputs: 1352.93
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 eos6wb7

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

# serve the model
ersilia serve eos6wb7
# 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

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Digest

sha256:fac34560e

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3.7 GB

Last updated

about 2 months ago

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