Titlebook: An Introduction to Chemoinformatics; Andrew R. Leach,Valerie J. Gillet Textbook 2007 Springer Science+Business Media B.V. 2007 chemical st

Brocas-Area

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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Andrew R. Leach,Valerie J. GilletAims to provide an introduction to the major techniques of chemoinformatics.Includes supplementary material:

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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.

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https://doi.org/10.1007/978-1-4020-6291-9chemical structure; chemistry; chemoinformatics; computational chemistry; structure

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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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