Read e-book online Advances in Mathematical Chemistry and Applications: Volume PDF

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

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

Each quantity includes a smart integration of mathematical and chemical options and covers quite a few functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.

Volume 1 contains chapters on mathematical structural descriptors of molecules and biomolecules, purposes of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph concept, various connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical methods to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density practical concept of chemical reactivity, software of mathematical descriptors within the quantification of drug-likeness, application of pharmacophores in drug layout, and lots more and plenty more.

  • Brings jointly either the theoretical and functional facets of the basic ideas of mathematical chemistry
  • Covers purposes in diversified parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • Revised 2015 variation features a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About 1/2 the ebook focuses totally on present paintings, new functions, 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 structures biology

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Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

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Categories: Analytic Chemistry