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

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

Each quantity includes a smart integration of mathematical and chemical thoughts and covers a variety of purposes 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, 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 practical idea of chemical reactivity, program 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 facets of the elemental strategies of mathematical chemistry
  • Covers functions in various parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
  • Revised 2015 version 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 ways for the mathematical characterization of crucial facets 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 platforms biology

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