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README.md

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+---
+tags:
+- chemistry
+- smiles
+- molecules
+- cheminformatics
+- classification
+pretty_name: Antimalarial Classification
+size_categories:
+- 1K<n<10K
+---
+
+# Antimalarial Classification
+
+Binary classification dataset of small molecules represented as SMILES for predicting antimalarial activity.
+
+## Source
+- [Original dataset page](https://sites.google.com/view/medardemswahili/publications-awards#h.kcrgyq3r642s)
+
+## Data fields
+- `smiles` (string): Canonical, isomeric SMILES. Unmodified from the source.
+- `label` (int): Binary activity label, {0: Inactive, 1: Active}.
+
+## Citation
+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
+
+Please cite the authors above if you use this dataset.

antimalarial-classification.parquet

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