Add an exact match structure search from the ChemCharts Chemistry visualization

Prior to this task:

✔ ChemCharts Chemistry visualization must be added.

1️⃣ Chemistry visual ➡ select [Add structure search]
2️⃣ New search window ➡ draw query structure
3️⃣ New search window ➡ Search type ➡ select [Exact match]
4️⃣ New search window ➡ select Structure column Output column Exact search options Exact search matching criteria
5️⃣ New search window ➡ select [OK]

Supporting Knowledge

• By default, stereochemistry must match for structures to be considered identical. Unselect Match stereochemistry to ignore stereochemical differences.
• Normalize before matching standardizes both query and target structures (removing explicit hydrogens, disconnecting metal ions, normalizing functional groups, re-ionizing, and standardizing stereochemistry) before matching. This will increase search time.
• Search Criteria: Multiple matching methods are available and can be combined (all selected criteria must match)
  • Structure (default) is a method requiring complete atom/bond matching.
  • Smiles compares extended SMILES strings of the query and target structures.
  • Tautomer invariant smiles converts query and target structures to standard tautomeric forms before comparison.
  • Inchi Key and Molecular Formula are self-explanatory.
  • S group data compares canonical representations of S substructure groups.