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ersiliaos/eos43d6

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By Ersilia Open Source Initiative

•Updated about 3 hours 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 2026-10-06.

⁠Information

⁠Identifiers
  • Ersilia Identifier: eos43d6
  • Slug: antimicrobial-activity-mtuberculosis
⁠Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Tuberculosis, Antimicrobial resistance
  • 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_scorefloathighQuality-weighted consensus across the 34 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 52 assays (87159 compounds). Recommended threshold: 0.65.
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: 0.65.
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: 0.65.
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: 0.65.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 18 assays (690 compounds). Recommended threshold: 0.65.
chembl_single_point_5floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 47 assays (565 compounds). Recommended threshold: 0.65.
chembl_single_point_6floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 40 assays (437 compounds). Recommended threshold: 0.65.
chembl_single_point_7floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 14 assays (328 compounds). Recommended threshold: 0.65.
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: 0.65.

10 of 35 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 1441
  • Environment Size (Mb): 7982
  • Image Size (Mb): 9803.07

Computational Performance (seconds):

  • 10 inputs: 81.18
  • 100 inputs: 80.33
  • 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!

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Image

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4.6 GB

Last updated

about 3 hours ago

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