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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Representation And Manipulation Of 3d Molecular Structures, considered to constitute the “natural language” of organic chemistry. However, they only indicate which atoms are bonded together. The steric and electronic 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 intere

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Similarity Methods,s of interest. These approaches are clearly very useful ways to select compounds but they do have some limitations. First, one requires sufficient knowledge to be able to construct a meaningful substructure or 3D pharmacophore. However, this knowledge may not always be available if, for example, onl

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Die Grundgesetze der klassischen Mechanik,The rationale for selecting diverse subsets of compounds lies in the similar property principle introduced in

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