ersiliaos/eos4f95 repository overview

⁠Inhibition of Eumycetoma from MycetOS

Scores compounds for activity against Madurella mycetomatis, the fungus behind most cases of eumycetoma, a neglected infection for which itraconazole is the only treatment and a quarter of patients relapse. Ersilia trained the classifier with its LazyQSAR package on growth-inhibition data from MycetOS, an open-source drug discovery project that screened the Medicines for Malaria Venture boxes and shares its results openly. Actives number in the low hundreds, so the output is a prioritisation aid for further screening rather than a settled predictor.

This model was incorporated on 2023-09-27.Last packaged on 2026-10-20.

⁠Information

⁠Identifiers

• Ersilia Identifier: eos4f95
• Slug: mycetos

⁠Domain

• Task: Annotation
• Subtask: Activity prediction
• Biomedical Area: Mycetoma
• Target Organism: Madurella mycetomatis
• Tags: Antifungal activity

⁠Input

• Input: Compound
• Input Dimension: 1

⁠Output

• Output Dimension: 1
• Output Consistency: Fixed
• Interpretation: Probability of Madurella mycetomatis growth inhibition, with actives defined by a 20% growth cut-off.

Below are the Output Columns of the model:

⁠Source and Deployment

• Source: Local
• Source Type: Internal
• DockerHub: https://hub.docker.com/r/ersiliaos/eos4f95⁠
• Docker Architecture: AMD64, ARM64
• S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos4f95.zip⁠

⁠Resource Consumption

• Model Size (Mb): 16
• Environment Size (Mb): 6436
• Image Size (Mb): 6522.01

Computational Performance (seconds):

• 10 inputs: 34.98
• 100 inputs: 26.76
• 10000 inputs: 493.95

⁠References

• Source Code: https://github.com/ersilia-os/lazy-qsar⁠
• Publication: https://doi.org/10.1016/j.ijid.2020.09.1018⁠
• Publication Type: Peer reviewed
• Publication Year: 2020
• Ersilia Contributor: GemmaTuron⁠

⁠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 eos4f95

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

# serve the model
ersilia serve eos4f95
# 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!