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ersiliaos/eos43d6

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By Ersilia Open Source Initiative

Updated 2 months ago

Ersilia Model Hub Identifier: eos43d6

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ersiliaos/eos43d6 repository overview

Antimicrobial activity prediction against Mycobacterium tuberculosis from public ChEMBL and PubChem data

Bioactivity prediction of growth inhibition in Mycobacterium tuberculosis, 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: eos43d6
  • Slug: antimicrobial-activity-mtuberculosis
Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Tuberculosis
  • Target Organism: Mycobacterium tuberculosis
  • Tags: Antimicrobial activity, ChEMBL
Input
  • Input: Compound
  • Input Dimension: 1
Output
  • Output Dimension: 35
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Mycobacterium tuberculosis from 34 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 34 sub-models. Recommended threshold: 0.698.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 52 assays (87159 compounds). Recommended threshold: 0.8.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 23 assays (1032 compounds; incl. 419 added negatives). Recommended threshold: 0.497.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 56 assays (918 compounds; incl. 192 added negatives). Recommended threshold: 0.514.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 35 assays (834 compounds; incl. 201 added negatives). Recommended threshold: 0.469.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 18 assays (690 compounds). Recommended threshold: 0.716.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 47 assays (565 compounds). Recommended threshold: 0.517.
chembl_single_point_6floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 40 assays (437 compounds). Recommended threshold: 0.501.
chembl_single_point_7floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 14 assays (328 compounds). Recommended threshold: 0.567.
chembl_single_point_8floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 19 assays (308 compounds; incl. 15 added negatives). Recommended threshold: 0.476.

10 of 35 columns are shown

Source and Deployment
Resource Consumption
  • Model Size (Mb): 1246
  • Environment Size (Mb): 7208
  • Image Size (Mb): 8902.6

Computational Performance (seconds):

  • 10 inputs: 84.28
  • 100 inputs: 87.45
  • 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 eos43d6

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

# serve the model
ersilia serve eos43d6
# 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:c4242a982

Size

4.3 GB

Last updated

2 months ago

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