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Mathematical Descriptors of Molecules and Biomolecules

Applications in Chemistry, Drug Design, Chemical Toxicology, and Computational Biology

Subhash C. Basak

978-3-031-67841-7

2025
Edition 1
- 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 comprehensive review of topological and quantum chemical descriptor calculation methods for basic chemical research, drug design, and predictive toxicology
- Includes a review of calculation methods and the use of quantum chemical indices derived from different levels of ab initio techniques, including density functional theory (DFT) and information theory-based descriptors
€90 €81
10% OFF

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