Datasets:

Derify
/

covid-19-classification

tags:
  - chemistry
  - smiles
  - molecules
  - cheminformatics
  - classification
pretty_name: COVID-19 Classification
size_categories:
  - 1K<n<10K

COVID-19 Classification

Binary classification dataset of small molecules represented as SMILES for predicting anti‑coronavirus (SARS‑CoV‑2) activity.

Source

Original dataset CSV

Data fields

smiles (string): Canonical, isomeric SMILES. Unmodified from the source.
label (int): Binary activity label, {0: Inactive, 1: Active}.

Citation

Harigua-Souiai, E.; Heinhane, M.M.; Abdelkrim, Y.Z.; Souiai, O.; Abdeljaoued-Tej, I.; Guizani, I. Deep Learning Algorithms Achieved Satisfactory Predictions When Trained on a Novel Collection of Anticoronavirus Molecules. Frontiers in Genetics, 2021, 12:744170. https://doi.org/10.3389/fgene.2021.744170

Please cite the authors above if you use this dataset.