Identifying HDAC3 inhibitors

The model predicts the inhibitory potential of small molecules against Histone deacetylase 3 (HDAC3), a relevant human target for cancer, inflammation, neurodegenerative diseases and diabetes. The authors have used a dataset of 1098 compounds from ChEMBL and validated the model using the benchmark MUBD-HDAC3

Identifiers

• EOS model ID: eos1n4b
• Slug: hdac3-inh

Characteristics

• Input: Compound
• Input Shape: Single
• Task: Classification
• Output: Score
• Output Type: Float
• Output Shape: Single
• Interpretation: Probability that the molecule is a HDAC3 inhibitor

References

• Publication
• Source Code
• Ersilia contributor: Richiio

Ersilia model URLs

• GitHub
• AWS S3
• DockerHub (AMD64)

Citation

If you use this model, please cite the original authors of the model and the Ersilia Model Hub.

License

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

Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.

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