Article ID: 855 - Last Modified: June 15, 2011
When I ran a combinatorial library enumeration with CombiGlide, there were fewer structures returned than I expected. Why is this?
Structures can be eliminated in the enumeration because the side chains are overlapping ("tangled") and they cannot be untangled. For example, a chain from one attachment point might go through a ring on another. In this case the number returned is less than the expected number.
Keywords: library enumeration, CombiGlide
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