ersiliaos/eos7l5m repository overview

⁠Efflux susceptibility in gram-negative bacteria

Flags small molecules likely to be expelled by Escherichia coli efflux pumps, the barrier that most often strips Gram-negative antibacterials of whole-cell activity. El Zahed and colleagues screened some 314,000 compounds against an efflux-deficient tolC mutant, recovered about 4,500 growth inhibitors, 84% of which lost potency in the wild type, and separated roughly 1,070 pumped from 410 non-pumped actives. Ersilia retrained classifiers on those sets with LazyQSAR instead of serving the published SERF random forest.

This model was incorporated on 2025-12-12.Last packaged on 2026-10-29.

⁠Information

⁠Identifiers

• Ersilia Identifier: eos7l5m
• Slug: efflux-gram-negative

⁠Domain

• Task: Annotation
• Subtask: Activity prediction
• Biomedical Area: Antimicrobial resistance, Diarrheal diseases
• Target Organism: Escherichia coli
• Tags: Antimicrobial activity, Gram-negative bacteria

⁠Input

• Input: Compound
• Input Dimension: 1

⁠Output

• Output Dimension: 2
• Output Consistency: Fixed
• Interpretation: Two rank scores calibrated against the Ersilia reference library of 50K compounds, where 0.65 beats 99% of it. The first is how likely Escherichia coli is to pump the compound out; the second how likely it is to inhibit growth only when efflux is disabled. Trained on a tolC-mutant screen.

Below are the Output Columns of the model:

⁠Source and Deployment

• Source: Local
• Source Type: Internal
• DockerHub: https://hub.docker.com/r/ersiliaos/eos7l5m⁠
• Docker Architecture: AMD64, ARM64
• S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos7l5m.zip⁠

⁠Resource Consumption

• Model Size (Mb): 89
• Environment Size (Mb): 7463
• Image Size (Mb): 7621.45

Computational Performance (seconds):

• 10 inputs: 41.46
• 100 inputs: 35.29
• 10000 inputs: 957.88

⁠References

• Source Code: https://github.com/sfrench007/serf⁠
• Publication: https://doi.org/10.1128/AAC.01925-20⁠
• Publication Type: Peer reviewed
• Publication Year: 2021
• Ersilia Contributor: miquelduranfrigola⁠

⁠License

This package is licensed under a GPL-3.0⁠ license. The model contained within this package is licensed under a BSD-3-Clause⁠ 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 eos7l5m

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

# serve the model
ersilia serve eos7l5m
# 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!