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

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 popular specialists in those volumes.

Each quantity includes a smart integration of mathematical and chemical techniques and covers a number of 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, functions of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph idea, various connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical techniques to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density useful idea 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 ideas of mathematical chemistry
  • Covers purposes in different components of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
  • Revised 2015 variation encompasses a new bankruptcy at the present panorama of hierarchical QSAR modelling
  • About 1/2 the ebook 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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