Download E-books Advances in Mathematical Chemistry and Applications: Volume 1 PDF

By Guillermo Restrepo

Advances in Mathematical Chemistry and Applications highlights the hot 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 popular specialists in those volumes.

Each quantity includes a smart integration of mathematical and chemical innovations and covers various 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 partly 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 ways to molecular constitution iteration, comparison graphs, purposes of molecular topology in drug layout, density sensible conception 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 functional features of the elemental innovations of mathematical chemistry
  • Covers purposes in diversified parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
  • Revised 2015 version incorporates a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About 1/2 the e-book focuses totally on present paintings, new functions, and rising ways 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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