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

ISBN-10: 1681081989

ISBN-13: 9781681081984

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

Each quantity includes a sensible integration of mathematical and chemical techniques and covers a number of functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.

Volume 1 comprises chapters on mathematical structural descriptors of molecules and biomolecules, functions of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph thought, diverse connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical ways to molecular constitution new release, comparison graphs, purposes of molecular topology in drug layout, density useful idea of chemical reactivity, program 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 useful features of the basic thoughts of mathematical chemistry
  • Covers functions in various components of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
  • Revised 2015 version contains a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About half the booklet focuses totally on present paintings, new purposes, and rising techniques for the mathematical characterization of crucial points 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 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

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