Datasetpublic

Derify/safe_druglike_QED_33m

Druglike QED 36M - SAFE Dataset This dataset is derived from Druglike molecule datasets for drug discovery. SAFE (sequential attachment-based fragment embedding) representations were generated using safe-mol (0.1.13). Dataset Overview: Source: SAFE representation: safe-mol (0.1.13) Total Entries: 33M SMILES

sourceHugging Facecc-by-4.0updated 2y agoView on Hugging Face

0likes68downloads

Dataset Card

Druglike QED 36M - SAFE Dataset

This dataset is derived from Druglike molecule datasets for drug discovery. SAFE (sequential attachment-based fragment embedding) representations were generated using safe-mol (0.1.13).

Dataset Overview:

—Source: ![DOI](https://doi.org/10.5281/zenodo.7547717)
—SAFE representation: safe-mol (0.1.13)
—Total Entries: 33M SMILES