| | --- |
| | 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. |
| |
|
