New PDF release: Advances in Mathematical Chemistry and Applications. Volume

By Subhash C. Basak, Visit Amazon's Guillermo Restrepo Page, search results, Learn about Author Central, Guillermo Restrepo, , Jose L. Villaveces

ISBN-10: 1681080524

ISBN-13: 9781681080529

ISBN-10: 1681080532

ISBN-13: 9781681080536

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 means of sixty eight the world over popular specialists in those volumes.

Each quantity contains a smart integration of mathematical and chemical strategies and covers various functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.

Volume 2 explores deeper the subjects brought in quantity 1, with quite a few extra themes reminiscent of topological ways for classifying fullerene isomers; chemical response networks; discrimination of small molecules utilizing topological molecular descriptors; GRANCH tools for the mathematical characterization of DNA, RNA and protein sequences; linear regression equipment and Bayesian ideas; in silico toxicity prediction equipment; drug layout; integration of bioinformatics and structures biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding types; molecular periodicity; generalized topologies and their purposes; and plenty of more.

    • Brings jointly either the theoretical and sensible features of the elemental options of mathematical chemistry
    • Covers functions in numerous fields reminiscent of drug discovery, safeguard of human in addition to ecological well-being, chemoinformatics, bioinformatics, toxicoinformatics, and computational biology, to call only a few
    • About half the publication focuses totally on present paintings, new purposes, and rising ways for the mathematical characterization of crucial features 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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    Read Online or Download Advances in Mathematical Chemistry and Applications. Volume 2 PDF

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    Extra resources for Advances in Mathematical Chemistry and Applications. Volume 2

    Example text

    A topological study of the structure of the C76 fullerene. Chem. Phys. , 1992, 197, 49–54. ; Graovac, A. Topological ranking of C28 fullerenes reactivity. Fullerenes, Nanotubes and Carbon Nanostructures, 2009, 17(3), 308 – 323. , On applicability of the Wiener index to estimate relative stabilities of the higher-fullerene IPR isomers, J. Serb. Chem. , 1997, 62(3), 211-217. Manolopoulos, D. ; Fowler, P. , Molecular graphs, point groups, and fullerenes, J. Chem. , 1992, 96, 7603-7777. , A topological study of the structure of the C76 fullerene, Chemical Physics Letters, 1992, 197(1-2), 49-54.

    In the ppicture, font co olours match su ubstances with h their correspo onding images under . Similarity in Chemical Reaction Networks Advances in Mathematical Chemistry and Applications, Vol. 2 33 For example, in group theory, group homomorphisms map one group into another while keeping its algebraic structure; in topology preimages of open sets under continuous functions are open sets, which preserves the core topological structure of the space; in graph theory adjacency-preserving mappings transform graphs while preserving adjacencies among their vertices, and so on (Fig.

    Intuitively, this is the complete set of substances that are as similar to elements of as elements of are among themselves. We refer to as the lattice closure of . Topological Closure Previous work by Restrepo and collaborators shows that topological spaces form a rich framework for the study of chemical similarity. Topological invariants such as closure, interior, exterior, and boundary have been found to provide valuable information on similarity among chemical elements [23-25]. However, a meaningful definition of these invariants requires a concept of closure that is slightly more restricted than the one introduced previously.

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    Advances in Mathematical Chemistry and Applications. Volume 2 by Subhash C. Basak, Visit Amazon's Guillermo Restrepo Page, search results, Learn about Author Central, Guillermo Restrepo, , Jose L. Villaveces


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