By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Advances in Mathematical Chemistry and Applications highlights the hot 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 via sixty eight the world over popular specialists in those volumes.
Each quantity includes a sensible integration of mathematical and chemical ideas and covers various 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 partly ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph conception, varied connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical ways to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density useful concept of chemical reactivity, program 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 sensible features of the basic suggestions of mathematical chemistry
- Covers purposes in different 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 functions, and rising ways for the mathematical characterization of crucial facets 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 structures biology
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Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces