metadata

license: odc-by
task_categories:
  - mask-generation
tags:
  - chemistry
  - smiles
  - cheminformatics
pretty_name: SAFE PubChem 10M
size_categories:
  - 10M<n<100M

PubChem 10M - SAFE Dataset

This dataset is derived from the original PubChem 10M. SAFE (sequential attachment-based fragment embedding) representations were generated using safe-mol (0.1.13).

Dataset Overview:

Source: PubChem 10M
SAFE representation: safe-mol (0.1.13)
Total Entries: 10M SMILES