This model predicts the probability of a compound of passing the Mtb cell wall membrane. The classifier (permeable vs not permeable) model was trained on a dataset of 5368 molecules. It is a simple classifier (SVC) using Mordred descriptors.
- EOS model ID:
eos3ujl - Slug:
mtb-permeability
- Input:
Compound - Input Shape:
Single - Task:
Classification - Output:
Probability - Output Type:
Float - Output Shape:
Single - Interpretation: Probability of a compound passing the Mtb cell wall membrane
- Publication
- Source Code
- Ersilia contributor: miquelduranfrigola
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
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.
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