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

ISBN-10: 1681080532

ISBN-13: 9781681080536

Advances in Mathematical Chemistry and Applications highlights the new 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 across the world popular specialists in those volumes.

Each quantity includes a sensible integration of mathematical and chemical ideas and covers a number 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 quite a few extra issues reminiscent of 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 equipment and Bayesian suggestions; in silico toxicity prediction tools; drug layout; integration of bioinformatics and structures biology, molecular docking, and molecular dynamics; metalloenzyme types; protein folding versions; molecular periodicity; generalized topologies and their functions; and plenty of more.

  • Brings jointly either the theoretical and sensible features of the basic techniques of mathematical chemistry
  • Covers functions in varied parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • About half the booklet focuses totally on present paintings, new purposes, and rising methods for the mathematical characterization of crucial elements of molecular constitution, whereas the opposite part describes purposes 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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