metadata

license: cc-by-4.0
task_categories:
  - mask-generation
tags:
  - chemistry
  - smiles
  - cheminformatics
pretty_name: SAFE Druglike QED 33M
size_categories:
  - 10M<n<100M

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