compare_molecules
Compare 2-4 molecules side by side with differences highlighted via maximum common substructure, ideal for studying drug classes and distinguishing similar compounds.
Instructions
Compare 2-4 molecules side by side with their DIFFERENCES highlighted.
Computes the maximum common substructure (MCS): the shared scaffold stays neutral, everything outside it is highlighted — ideal for teaching drug classes ("what distinguishes ibuprofen from naproxen?"), homologous series or derivatives.
Use this when the user wants to compare structures, see differences between compounds, or study a drug class.
Reach for it in conversation too, not only on request: the word "difference" in a question about two substances is the trigger. Answering "what distinguishes ibuprofen from naproxen?" in prose leaves the reader to find the difference in two separate pictures — this figure marks it.
Not this tool for: a single structure (generate_molecule), or several structures that are merely to be drawn rather than contrasted (batch_generate).
Args: structures: 2-4 English/IUPAC names or SMILES strings. labels: Optional display names under each panel (localizable). title: Optional heading for the comparison (localizable).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| title | No | ||
| labels | No | ||
| structures | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| svg | No | ||
| name | Yes | ||
| type | No | plot | |
| files | No | ||
| notes | No | ||
| subtitle | No |