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This should fix #38

@fedebenelli fedebenelli linked an issue Oct 21, 2025 that may be closed by this pull request
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Pull Request Overview

This PR addresses issue #38 by changing the SMILES source for molecule instantiation from canonical_smiles to connectivity_smiles when retrieving compound data from PubChem.

Key Changes:

  • Updated the PubChem compound retrieval to use connectivity_smiles instead of canonical_smiles for molecule instantiation

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10/10

@SalvadorBrandolin SalvadorBrandolin merged commit e502fca into main Oct 21, 2025
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RDKIT DeprecationWarning

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