Decoys Selection in Benchmarking Datasets: Overview and Perspectives
Virtual Screening (VS) is designed to prospectively help identifying potential hits, i.e., compounds capable of interacting with a given target and potentially modulate its activity, out of large compound collections. Among the variety of methodologies, it is crucial to select the protocol that is t...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2018-01-01
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Series: | Frontiers in Pharmacology |
Subjects: | |
Online Access: | http://journal.frontiersin.org/article/10.3389/fphar.2018.00011/full |