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 by way of sixty eight the world over well known specialists in those volumes.
Each quantity contains a smart integration of mathematical and chemical recommendations and covers quite a few 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 a number of extra issues reminiscent of topological ways 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 equipment and Bayesian strategies; in silico toxicity prediction tools; drug layout; integration of bioinformatics and platforms biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding versions; molecular periodicity; generalized topologies and their purposes; and lots of more.
- Brings jointly either the theoretical and sensible facets of the elemental options of mathematical chemistry
- Covers purposes in varied components of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
- About 1/2 the ebook focuses totally on present paintings, new purposes, and rising ways 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 platforms biology
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