A library contains more than one million molecules, but only a small number can be assayed. Which workflow constitutes virtual screening?

Question

Answer

Experimentally test a small representative subset and use the observed hit rate as the final screening result.

Answer

Use computational filters to remove invalid molecules or compounds with undesirable ADME properties, without ranking the remaining library for the target activity.

Answer

Use computational scores to prioritize the library and experimentally test only selected candidates.

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A library contains more than one million molecules, but only a small number can ...

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