The dataset viewer is not available for this dataset.
Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
ASAP-OpenADMET pIC50 SARS-CoV-2
ASAP_OpenADMET_pIC50_SARS-CoV-2 dataset from the ASAP Discovery-OpenADMET Antiviral Drug Discovery Challenge [1] [2] [3]. It is intended to be used through scikit-fingerprints library.
The task is to predict pIC50 of molecules against SARS-CoV-2.
| Characteristic | Description |
|---|---|
| Tasks | 1 |
| Task type | regression |
| Total samples | 1105 |
| Recommended split | time |
| Recommended metric | MAE |
References
[1] ASAP Discovery "ASAP Discovery x OpenADMET Antiviral Drug Discovery Challenge" https://polarishub.io/blog/antiviral-competition
[2] Chodera et al. "The ASAP Discovery Antiviral Drug Discovery Challenge" https://doi.org/10.26434/chemrxiv-2025-zd9mr
[3] MacDermott-Opeskin, Hugo, et al. "A computational community blind challenge on pan-coronavirus drug discovery data" J. Chem. Inf. Model. 2026, 66, 6, 3129-3149 https://doi.org/10.1021/acs.jcim.5c02106
- Downloads last month
- 203