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Titlebook: Mathematical Descriptors of Molecules and Biomolecules; Applications in Chem Subhash C. Basak Book 2025 The Editor(s) (if applicable) and T

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书目名称Mathematical Descriptors of Molecules and Biomolecules
副标题Applications in Chem
编辑Subhash C. Basak
视频video
概述Contains the needed background, calculation methods, and proper use of chemodescriptors and biodescriptors in model building with special emphasis on computer-assisted organic synthesis.Provides a com
丛书名称Synthesis Lectures on Mathematics & Statistics
图书封面Titlebook: Mathematical Descriptors of Molecules and Biomolecules; Applications in Chem Subhash C. Basak Book 2025 The Editor(s) (if applicable) and T
描述.This book provides an up-to-date overview of data driven and evidence-based empirical approaches in the efficient application of chemodescriptors and biodescriptors. Currently there is a steady increase in the use of data analytics and model-based decision support systems in basic and applied research in chemoinformatics, bioinformatics, pharmaceutical drug design, predictive toxicology, and computational biology.  Since there are a plethora of modeling methods and a large number of chemodescriptors and biodescriptors available today, robust statistical and machine learning methods are applied throughout. In addition, the development of statistically robust predictive models in rank deficient cases using chemodescrip tors and biodescriptors is discussed. Readers are provided with an up-to-date overview of the theoretical background, calculation methods, and proper use of chemodescriptors and biodescriptors in model building, with special emphasis on computer-assisted organic synthesis, new drug discovery, hazard assessment of chemicals, and computational biology of emerging global pathogens. The book also discusses the applications of alignment-free sequence descriptors (AFSDs) in
出版日期Book 2025
关键词Mathematical Chemodescriptors; Computed Biodescriptors; Protein Structure Characterization; Chirality D
版次1
doihttps://doi.org/10.1007/978-3-031-67841-7
isbn_softcover978-3-031-67843-1
isbn_ebook978-3-031-67841-7Series ISSN 1938-1743 Series E-ISSN 1938-1751
issn_series 1938-1743
copyrightThe Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl
The information of publication is updating

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Chirality Descriptors for Numerical Characterization of Enantiomers and Diastereomers,ent in chiral synthetic methods using biocatalysts, and separation technology. However, the impetus in the synthesis of enantiopure drugs may partly be attributed to regulatory policies for chiral pharmaceuticals. Enantiomers and diastereomers collectively the stereoisomers have difference in bio-ef
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Descriptors from Calculated Stereo-Electronic Properties and Molecular Electrostatic Potentials (MEf molecules. They enable to visualize charge distributions and charge related properties. MEP not only allows to visualize the size and shape but also provides an invaluable tool for predicting the behavior of complex molecules. Their profiles are particularly useful for medicinal and organic chemis
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peptide’s precursor (NACP) is the homologue of a brain-specific presynaptic protein of unknown function, identified independently in at least four other laboratories. The first report of this protein was in 1988 by Maroteaux et al.., who identified it as a component enriched in a biochemical prepara
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