ZINC20-Druglike / README.md
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metadata
tags:
  - chemistry
size_categories:
  - 1B<n<10B

Downloaded Nov 25th 2023 from ZINC-20 (https://zinc20.docking.org/).

Contains the unique canonicalized SMILES molecules, done with RDKit.

Used this filtering criteria in the ZINC-20 tranches:

  • 2D representation
  • Standard reaction
  • Annotated purchasability
  • Drug-like subset

Distribution of Sequence Lengths Top 15 SMILES Tokens and Their Frequencies