---
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.