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

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 sensible integration of mathematical and chemical options and covers a variety 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, purposes of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph idea, diversified 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 thought of chemical reactivity, program of mathematical descriptors within the quantification of drug-likeness, application of pharmacophores in drug layout, and masses more.

  • Brings jointly either the theoretical and functional features of the elemental ideas of mathematical chemistry
  • Covers purposes in varied 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 1/2 the e-book focuses totally on present paintings, new purposes, and rising techniques for the mathematical characterization of crucial features 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 structures biology

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