By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Advances in Mathematical Chemistry and Applications highlights the new development within the rising self-discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have introduced jointly 27 chapters written through sixty eight across the world well known specialists in those volumes.
Each quantity includes a smart integration of mathematical and chemical recommendations and covers a variety of functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.
Volume 2 explores deeper the themes brought in quantity 1, with various extra themes akin to topological techniques for classifying fullerene isomers; chemical response networks; discrimination of small molecules utilizing topological molecular descriptors; GRANCH tools for the mathematical characterization of DNA, RNA and protein sequences; linear regression tools and Bayesian strategies; in silico toxicity prediction tools; drug layout; integration of bioinformatics and structures biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding versions; molecular periodicity; generalized topologies and their functions; and lots of more.
- Brings jointly either the theoretical and useful elements of the elemental techniques of mathematical chemistry
- Covers functions in different components of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
- About half the booklet focuses totally on present paintings, new functions, and rising methods for the mathematical characterization of crucial elements of molecular constitution, whereas the opposite part describes functions of structural method of new drug discovery, digital screening, protein folding, predictive toxicology, DNA constitution, and structures biology
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