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--- |
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tags: |
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- chemistry |
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- smiles |
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- molecules |
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- cheminformatics |
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- classification |
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pretty_name: Antimalarial Classification |
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size_categories: |
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- 1K<n<10K |
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--- |
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# Antimalarial Classification |
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Binary classification dataset of small molecules represented as SMILES for predicting antimalarial activity. |
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## Source |
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- [Original dataset page](https://sites.google.com/view/medardemswahili/publications-awards#h.kcrgyq3r642s) |
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## Data fields |
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- `smiles` (string): Canonical, isomeric SMILES. Unmodified from the source. |
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- `label` (int): Binary activity label, {0: Inactive, 1: Active}. |
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## Citation |
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Mswahili, M.E.; Ndomba, G.E.; Jo, K.; Jeong, Y.-S. Graph Neural Network and BERT Model for Antimalarial Drug Predictions Using Plasmodium Potential Targets. Applied Sciences, 2024, 14(4), 1472. https://doi.org/10.3390/app14041472 |
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Please cite the authors above if you use this dataset. |
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