This model predicts the antimalarial potential of small molecules in vitro. We have collected the data available from the Open Source Malaria Series 4 molecules and used two cut-offs to define activity, 1 uM and 2.5 uM. The training has been done with the LazyQSAR package (Morgan Binary Classifier) and shows an AUROC >0.8 in a 5-fold cross-validation on 20% of the data held out as test. These models have been used to generate new series 4 candidates by Ersilia.
- EOS model ID:
eos7yti - Slug:
osm-series4
- Input:
Compound - Input Shape:
Single - Task:
Classification - Output:
Probability - Output Type:
Float - Output Shape:
List - Interpretation: Probability of killing P.falciparum in vitro (IC50 < 1uM and 2.5uM, respectively)
- Publication
- Source Code
- Ersilia contributor: GemmaTuron
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 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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