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

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

ISBN-10: 1681081989

ISBN-13: 9781681081984

Advances in Mathematical Chemistry and Applications highlights the hot 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 contains a smart integration of mathematical and chemical techniques and covers a variety 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 conception, diversified connectivity matrices and their polynomials, use of second 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, program of mathematical descriptors within the quantification of drug-likeness, software of pharmacophores in drug layout, and masses more.

  • Brings jointly either the theoretical and functional features of the basic suggestions of mathematical chemistry
  • Covers purposes in diversified components of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • Revised 2015 variation encompasses a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About half the publication 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 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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