Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
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Low
Low-risk findings worth noting
Low
Low-risk findings.
1 low severity finding. Worth noting, but not necessarily harmful.
The skill exposes the agent to untrusted, user-generated content from public third-party sources, creating a risk of indirect prompt injection. This includes browsing arbitrary URLs, reading social media posts or forum comments, and analyzing content from unknown websites.
The runtime workflow provided by `scripts/*` ingests outsider-authored free text/SDF/SMILES contents from user-supplied command-line arguments (`--file` or positional `smiles/query/pattern`) and passes it directly into RDKit parsers like `Chem.MolFromSmiles`, `Chem.SDMolSupplier`, `Chem.SmilesMolSupplier`, and `Chem.MolFromSmarts` for processing.
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