ersiliaos/eos4xb1 repository overview

⁠Antihypertension prediction

Scores molecules for antihypertensive potential, overall and through three mechanisms, angiotensin-converting enzyme inhibition, calcium channel blockade and angiotensin II receptor antagonism, with separate models for natural products and for synthetic derivatives. Ersilia trained the six LazyQSAR classifiers for the Centre for Drug Discovery at the University of Buea, whose team curated the actives. Negatives are property-matched ChEMBL decoys at about ten per active rather than measured inactives, so the scores rank candidates instead of estimating real hit rates.

This model was incorporated on 2025-11-25.Last packaged on 2026-10-22.

⁠Information

⁠Identifiers

• Ersilia Identifier: eos4xb1
• Slug: antihypertension-prediction

⁠Domain

• Task: Annotation
• Subtask: Activity prediction
• Biomedical Area: Any
• Target Organism: Homo sapiens
• Tags: Therapeutic indication

⁠Input

• Input: Compound
• Input Dimension: 1

⁠Output

• Output Dimension: 6
• Output Consistency: Fixed
• Interpretation: Rank score of predicted antihypertensive activity, overall and within the natural product and synthetic subsets, and via ACE, calcium channel or AT1R mechanisms. Calibrated against 50K compounds from the Ersilia reference library, so a rank above 0.65 beats 99% of them.

Below are the Output Columns of the model:

⁠Source and Deployment

• Source: Local
• Source Type: Internal
• DockerHub: https://hub.docker.com/r/ersiliaos/eos4xb1⁠
• Docker Architecture: AMD64, ARM64
• S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos4xb1.zip⁠

⁠Resource Consumption

• Model Size (Mb): 68
• Environment Size (Mb): 7511
• Image Size (Mb): 7641.69

Computational Performance (seconds):

• 10 inputs: 42.79
• 100 inputs: 35.23
• 10000 inputs: 939.27

⁠References

• Source Code: https://github.com/ersilia-os/anti-hypertension-cedd⁠
• Publication: https://ersilia.io⁠
• Publication Type: Other
• Publication Year: 2025
• 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 eos4xb1

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

# serve the model
ersilia serve eos4xb1
# 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!