By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Advances in Mathematical Chemistry and Applications highlights the hot growth 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 the world over popular specialists in those volumes.
Each quantity includes a smart integration of mathematical and chemical recommendations and covers a variety of purposes 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 variety of extra subject matters akin to topological techniques for classifying fullerene isomers; chemical response networks; discrimination of small molecules utilizing topological molecular descriptors; GRANCH equipment for the mathematical characterization of DNA, RNA and protein sequences; linear regression tools and Bayesian options; in silico toxicity prediction tools; drug layout; integration of bioinformatics and platforms biology, molecular docking, and molecular dynamics; metalloenzyme types; protein folding versions; molecular periodicity; generalized topologies and their purposes; and lots of more.
- Brings jointly either the theoretical and sensible features of the basic suggestions of mathematical chemistry
- Covers functions in different parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
- About half the e-book focuses totally on present paintings, new purposes, and rising techniques for the mathematical characterization of crucial facets 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