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

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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

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Die Relativit?tstheorie Einsteinssynthesis [Terrett 1998; Lebl 1999]. These methods range from complex robots designed for the synthesis of large combinatorial libraries to “l(fā)ow-tech” equipment that enables basic functions such as heating or separation to be applied to a small number of samples. The common feature of these techniqu

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chniques from many disciplines including computer science, mathematics, computational chemistry and data visualisation to tackle these problems. ..This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of

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Representation And Manipulation Of 3d Molecular Structures,ctronic properties of a molecule depend on how its atoms can be positioned in space to produce its 3D structures or .. There has thus been much interest in the development of algorithms and database systems that deal with 3D representations of molecules and their conformationally dependent properties.

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Textbook 2007to tackle these problems. ..This, the first text written specifically for this field, aims to provide an introduction to the major techniques of chemoinformatics. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and