Fragment Descriptors in StructureProperty Modeling and Virtual Screening
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This chapter reviews the application of fragment descriptors at different stages of virtual screening: filtering, similarity search, and direct activity assessment using QSAR/QSPR models. Several case studies are considered. It is demonstrated that the power of fragment descriptors stems from their universality, very high computational efficiency, simplicity of interpretation, and versatility.
![HA/HA蛋白Recombinant Influenza A virus Hemagglutinin (HA)重组蛋白HA; Hemagglutinin [Cleaved into: Hemagglutinin HA1 chain]; Fragment蛋白](https://img1.dxycdn.com/p/s14/2024/0914/429/2534610676379384381.jpg!wh200)
