The model uses Word2Vec, a natural language processing technique to represent SMILES strings. The model was trained on over <4000 small molecules with associated experimental HBV inhibition data (IC50) to classify compounds as HBV inhibitors (IC50 <= 1 uM) or non-inhibitors. Data was gathered from the public repository ChEMBL.
This model was incorporated on 2023-03-24.
- Ersilia Identifier:
eos8lok - Slug:
s2dv-hbv
- Task:
Annotation - Subtask:
Activity prediction - Biomedical Area:
Hepatitis B - Target Organism:
Hepatitis B virus - Tags:
Antiviral activity,IC50,HBV,ChEMBL
- Input:
Compound - Input Dimension:
1
- Output Dimension:
1 - Output Consistency:
Fixed - Interpretation: Probability of inhibition of HBV (IC50 < 1uM)
Below are the Output Columns of the model:
| Name | Type | Direction | Description |
|---|---|---|---|
| hbv_prob | float | high | Probability that a compound inhibits the Hepatitis B virus |
- Source:
Local - Source Type:
External - DockerHub: https://hub.docker.com/r/ersiliaos/eos8lok
- Docker Architecture:
AMD64,ARM64 - S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos8lok.zip
- Source Code: https://github.com/NTU-MedAI/S2DV
- Publication: https://pubmed.ncbi.nlm.nih.gov/35062019/
- Publication Type:
Peer reviewed - Publication Year:
2022 - Ersilia Contributor: emmakodes
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a Apache-2.0 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 eos8lokThen, you can serve, run and close the model as follows:
# serve the model
ersilia serve eos8lok
# 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!