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发表于 2025-3-23 11:18:10
Virtual Screening,ructures 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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发表于 2025-3-23 15:20:03
Andrew R. Leach,Valerie J. GilletAims to provide an introduction to the major techniques of chemoinformatics.Includes supplementary material:
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发表于 2025-3-23 18:31:28
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restrain
发表于 2025-3-24 02:01:29
Die Grundgesetze der Elektrodynamik,ructures 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.
Nebulous
发表于 2025-3-24 04:50:08
https://doi.org/10.1007/978-1-4020-6291-9chemical structure; chemistry; chemoinformatics; computational chemistry; structure
GEAR
发表于 2025-3-24 07:18:15
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花束
发表于 2025-3-24 14:14:36
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独特性
发表于 2025-3-24 17:24:46
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削减
发表于 2025-3-24 21:54:50
https://doi.org/10.1007/978-3-642-55459-9 represent properties of whole molecules such as log . and molar refractivity; descriptors that can be calculated from 2D graph representations of structures such as topological indices and 2D fingerprints; and descriptors such as pharmacophore keys that require 3D representations of structures. We
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发表于 2025-3-25 01:51:33
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