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 via sixty eight the world over well known specialists in those volumes.
Each quantity contains a sensible integration of mathematical and chemical techniques and covers a variety of functions 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 partly 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 techniques to molecular constitution iteration, comparison graphs, functions of molecular topology in drug layout, density sensible thought of chemical reactivity, program of mathematical descriptors within the quantification of drug-likeness, application of pharmacophores in drug layout, and masses more.
- Brings jointly either the theoretical and functional elements of the elemental strategies of mathematical chemistry
- Covers purposes in various 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 1/2 the ebook focuses totally on present paintings, new functions, and rising ways for the mathematical characterization of crucial features 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 platforms biology
Read Online or Download Advances in Mathematical Chemistry and Applications: Volume 1 PDF
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Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
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