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

ISBN-10: 1681081989

ISBN-13: 9781681081984

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 by way of sixty eight the world over popular specialists in those volumes.

Each quantity includes a smart integration of mathematical and chemical recommendations and covers a number of 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, functions of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph concept, assorted 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 thought of chemical reactivity, software of mathematical descriptors within the quantification of drug-likeness, software of pharmacophores in drug layout, and lots more and plenty more.

  • Brings jointly either the theoretical and functional points of the elemental suggestions of mathematical chemistry
  • Covers functions in assorted parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • Revised 2015 variation incorporates a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About 1/2 the publication focuses totally on present paintings, new functions, and rising techniques 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 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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