CombiChem: Combinatorial reactions in ChemDraw/Excel
CombiChem/Excel applies ChemDraw tools to combinatorial chemistry.
CombiChem provides a means to produce a combinatorial library, using Excel and ChemDraw tools. The standard ChemDraw/Excel tools can be applied to the resulting library. This video demonstrates the entire CombiCHem process from reaction to ChemDraw/Excel analysis:
- Creating a chemically-aware CombiChem worksheet in Excel
- Creating a variable-structure reaction (with R-groups)
- Reactant hitlists from SDFile, or search from ChemFinder
- Enumeration beyond ChemDraw's limit of 500 in "Expand Generic"
- Creating product library by enumeration (replacing R-groups)
- Applying ChemDraw/Excel functions such as BP prediction and atom counts
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