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.
- Ersilia Identifier:
eos7l5m - Slug:
efflux-gram-negative
- Task:
Annotation - Subtask:
Activity prediction - Biomedical Area:
Antimicrobial resistance,Diarrheal diseases - Target Organism:
Escherichia coli - Tags:
Antimicrobial activity,Gram-negative bacteria
- Input:
Compound - Input Dimension:
1
- 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:
| Name | Type | Direction | Description |
|---|---|---|---|
| pumped_rank | float | high | Rank score of how likely Escherichia coli efflux pumps are to expel the compound. Calibrated against 50K compounds from the Ersilia reference library so that a score of 0.65 is better than 99% of them. Recommended threshold: 0.65. |
| effluxed_rank | float | high | Rank score of how likely the compound is to inhibit Escherichia coli growth only when TolC-dependent efflux is disabled. Calibrated against 50K compounds from the Ersilia reference library so that a score of 0.65 is better than 99% of them. Recommended threshold: 0.65. |
- 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
- 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
- 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
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.
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 eos7l5mThen, 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 closeThe 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!