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 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 via sixty eight across the world popular specialists in those volumes.

Each quantity includes a smart integration of mathematical and chemical techniques 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 subjects brought in quantity 1, with various extra issues similar to 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 ideas; in silico toxicity prediction equipment; drug layout; integration of bioinformatics and structures 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 sensible facets of the elemental recommendations of mathematical chemistry
  • Covers functions in different parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • About half the publication 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 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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