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 way of sixty eight across the world well known specialists in those volumes.
Each quantity contains a sensible integration of mathematical and chemical recommendations and covers quite a few 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, functions of in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph conception, various connectivity matrices and their polynomials, use of second fingerprints in similarity-based digital screening, mathematical methods to molecular constitution iteration, comparison graphs, functions of molecular topology in drug layout, density useful thought of chemical reactivity, software 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 sensible elements of the elemental options of mathematical chemistry
- Covers functions in varied parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
- Revised 2015 variation features a new bankruptcy at the present panorama of hierarchical QSAR modelling
- About 1/2 the booklet focuses totally on present paintings, new purposes, and rising techniques 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 structures biology
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Extra 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