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 through sixty eight the world over popular specialists in those volumes.
Each quantity contains a smart integration of mathematical and chemical recommendations 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 partly ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph conception, various connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical methods to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density useful conception of chemical reactivity, software of mathematical descriptors within the quantification of drug-likeness, software of pharmacophores in drug layout, and masses more.
- Brings jointly either the theoretical and sensible points of the elemental ideas of mathematical chemistry
- Covers functions in different parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
- Revised 2015 version encompasses a new bankruptcy at the present panorama of hierarchical QSAR modelling
- About half the ebook focuses totally on present paintings, new functions, and rising techniques for the mathematical characterization of crucial elements 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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