Analytic Chemistry

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

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

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 via sixty eight the world over well known specialists in those volumes.

Each quantity contains a smart integration of mathematical and chemical strategies and covers quite a few purposes 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, purposes 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 methods to molecular constitution iteration, comparison graphs, functions of molecular topology in drug layout, density practical 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 sensible points of the elemental strategies of mathematical chemistry
  • Covers functions in different parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • Revised 2015 version encompasses a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About 1/2 the e-book focuses totally on present paintings, new purposes, and rising methods for the mathematical characterization of crucial facets 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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