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Advances in Mathematical Chemistry and Applications: Volume by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces PDF

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

ISBN-10: 1681080532

ISBN-13: 9781681080536

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 by way of sixty eight across the world well known specialists in those volumes.

Each quantity contains a smart integration of mathematical and chemical techniques 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 subjects brought in quantity 1, with a variety of extra subject matters resembling 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 innovations; in silico toxicity prediction equipment; drug layout; integration of bioinformatics and platforms biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding versions; molecular periodicity; generalized topologies and their functions; and plenty of more.

  • Brings jointly either the theoretical and useful facets of the elemental options of mathematical chemistry
  • Covers purposes in diversified parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
  • About 1/2 the publication 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 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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