Prior to this task:
✔ ChemCharts Chemistry visualization must be added.
| 1️⃣ Chemistry visual ➡ select | |
| 2️⃣ New search window ➡ draw query structure | |
| 3️⃣ New search window ➡ Search type ➡ select | |
4️⃣ New search window ➡ select
| |
| 5️⃣ New search window ➡ select |
Supporting Knowledge
- Any, All, Count options: Only relevant when using multiple disconnected substructures.
- Any matches structures containing at least one of the disconnected query substructures.
- All matches structures only when all disconnected query substructures are present.
- Count returns the number of unique substructure matches found.
- Matching stereochemistry: Queries without stereochemistry will match structures regardless of their stereochemistry specification; queries with stereochemistry will only match structures with identical stereochemistry when Match stereochemistry is selected.
- Bond Matching Criteria:
- Exact requires query bonds to precisely match structure bonds.
- Tautomer (default) enumerates all possible tautomers of the query structure, allowing any tautomer to match.
- Relaxed provides flexible matching for bonds in conjugated systems, between aromatic atoms, and with terminal atoms.
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