Download e-book for kindle: Advances in Mathematical Chemistry and Applications: Volume by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

Advances in Mathematical Chemistry and Applications highlights the hot 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 contains a sensible integration of mathematical and chemical strategies 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 quite a few extra issues corresponding to topological ways 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 equipment and Bayesian thoughts; in silico toxicity prediction equipment; drug layout; integration of bioinformatics and platforms biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding types; molecular periodicity; generalized topologies and their purposes; and lots of more.

  • Brings jointly either the theoretical and useful facets of the elemental thoughts of mathematical chemistry
  • Covers purposes in different components of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • About 1/2 the publication focuses totally on present paintings, new purposes, and rising techniques 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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Advances in Mathematical Chemistry and Applications: Volume 2 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

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