Virtual screening is the computational or in silico analogue of biological screening. The aim of virtual screening is to score, rank and/or filter a set of structures using one or more computational procedures. Virtual screening is used, for example, to help decide which compounds to screen, which libraries to synthesise and which compounds to purchase from an external company. It may also be employed when analysing the results of an experiment, such as a HTS run.
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© 2007 Springer
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(2007). Virtual Screening. In: An Introduction To Chemoinformatics. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-6291-9_8
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DOI: https://doi.org/10.1007/978-1-4020-6291-9_8
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