Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships /

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This work provides an introduction to mathematical modeling of molecules and its applications (structure generation, elucidation, evaluation; QSAR/QSPR etc.). It contains exercises and explanations of software packages in chemoinformatics that can be used directly via an online login code. It is aim...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Kerber, Adalbert (Autor), Laue, Reinhard (Autor), Meringer, Markus (Autor), Rücker, Christoph (Autor), Schymanski, Emma, 1980- (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin ; Boston : Walter de Gruyter GmbH & Co., KG, [2014]
Temas:
Cheminformatics.
Chemistry > Mathematics.
Chemistry > Data processing.
Chimio-informatique.
SCIENCE > Chemistry > General.
Chemistry > Data processing
Cheminformatics
Chemistry > Mathematics
Acceso en línea:Texto completo
Descripción
Sumario:This work provides an introduction to mathematical modeling of molecules and its applications (structure generation, elucidation, evaluation; QSAR/QSPR etc.). It contains exercises and explanations of software packages in chemoinformatics that can be used directly via an online login code. It is aimed at users of structure generation and corresponding methods, but also for teaching and learning chemoinformatics and for software designers.
Descripción Física:1 online resource (xxx, 491 pages) : illustrations (some color)
Bibliografía:Includes bibliographical references (pages 460-474) and index.
ISBN:9783110254075
3110254077

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