By Jan C. A. Boeyens (auth.), Werner Gans, Anton Amann, Jan C. A. Boeyens (eds.)
Molecular similarity has constantly been a major conceptual device of chemists, but systematic methods to molecular similarity difficulties have just recently been well-known as an incredible contributor to our knowing of molecular houses. complicated ways to molecular similarity research have their starting place in quantum similarity measures, and are very important direct or oblique individuals to a few of the predictive theoretical, computational, and in addition experimental tools of recent chemistry.
This quantity offers a survey of the rules and the modern mathematical and computational methodologies of molecular similarity ways, the place specific emphasis is given to purposes of similarity reviews to a number useful and industrially major fields, comparable to pharmaceutical drug layout.
The authors of person chapters are top specialists in a number of sub-fields of molecular similarity research and the comparable basic theoretical chemistry subject matters, in addition to the correct computational and experimental methodologies. while in each one bankruptcy the emphasis is put on a distinct sector, however, the general assurance and the huge scope of the ebook offers the reader with a common but sufficiently special description which can function an outstanding place to begin for brand spanking new experiences and purposes of molecular similarity techniques.
The editors of this quantity are thankful to the authors for his or her contributions, and desire that the readers will locate this ebook an invaluable and motivating resource of data within the speedily growing to be box of molecular similarity analysis.
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Extra resources for Fundamental Principles of Molecular Modeling
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