UniChem Connectivity Search
Connectivity (cross-source) search in UniChem: find all compounds across the 40+ source databases that share the same connectivity layer as the query - i.e. salts, stereoisomers, tautomers, and charge/protonation/isotope variants of the input structure. Each returned match carries a per-match 'comparison' object of boolean flags (charge, connectivity, formula, isotope, protonation, stereoDbond, stereoSp3, HAtoms, ...) showing exactly how that match differs from the query. Use this (rather than…
Overview
Connectivity (cross-source) search in UniChem: find all compounds across the 40+ source databases that share the same connectivity layer as the query - i.e. salts, stereoisomers, tautomers, and charge/protonation/isotope variants of the input structure. Each returned match carries a per-match 'comparison' object of boolean flags (charge, connectivity, formula, isotope, protonation, stereoDbond, stereoSp3, HAtoms, ...) showing exactly how that match differs from the query. Use this (rather than UniChem_search_compound, which does exact-structure matching) to discover related forms of a molecule across databases. Example: aspirin InChIKey 'BSYNRYMUTXBXSQ-UHFFFAOYSA-N' returns response 'Success' with totalCompounds 15 across 1044 source entries.
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default UniChem Connectivity Search call
Public-safe example · rate-limited
Identifiers
- Catalog ID
- tu_UniChem_connectivity_search
- Tool name
- UniChem_connectivity_search
- Added
- 2026-07-29 18:13Z
- Tags
- tooluniverse