| --- |
| 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. |
|
|
