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 by way of sixty eight across the world well known specialists in those volumes.
Each quantity includes a smart integration of mathematical and chemical thoughts and covers various 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, functions of partly ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph thought, assorted connectivity matrices and their polynomials, use of second fingerprints in similarity-based digital screening, mathematical ways 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 useful points of the basic strategies of mathematical chemistry
- Covers functions in various parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
- Revised 2015 version contains a new bankruptcy at the present panorama of hierarchical QSAR modelling
- About 1/2 the publication focuses totally on present paintings, new purposes, and rising ways for the mathematical characterization of crucial points 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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Extra info 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