By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
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 means of 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 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, purposes of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph concept, assorted connectivity matrices and their polynomials, use of second fingerprints in similarity-based digital screening, mathematical techniques to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density sensible idea of chemical reactivity, software of mathematical descriptors within the quantification of drug-likeness, application of pharmacophores in drug layout, and lots more and plenty more.
- Brings jointly either the theoretical and useful facets of the basic ideas of mathematical chemistry
- Covers purposes in diversified parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
- Revised 2015 version incorporates a new bankruptcy at the present panorama of hierarchical QSAR modelling
- About half the publication focuses totally on present paintings, new purposes, and rising ways 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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Additional resources for Advances in Mathematical Chemistry and Applications: Volume 1
Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces