Skip to content

Advances in Mathematical Chemistry and Applications. Volume by Subhash C. Basak, Visit Amazon's Guillermo Restrepo Page,

By Subhash C. Basak, Visit Amazon's Guillermo Restrepo Page, search results, Learn about Author Central, 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 means of sixty eight the world over well known specialists in those volumes.

Each quantity includes a sensible integration of mathematical and chemical techniques and covers a number 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 in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph thought, various connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical methods to molecular constitution new release, 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 points of the basic suggestions of mathematical chemistry
    • Covers functions in various components of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
    • Revised 2015 version encompasses a new bankruptcy at the present panorama of hierarchical QSAR modeling
    • About half the publication focuses totally on present paintings, new functions, and rising techniques 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

    Show description

    Read or Download Advances in Mathematical Chemistry and Applications. Volume 1 PDF

    Best analytic books

    Chromatographic Analysis of Pharmaceuticals

    Up-to-date and revised all through. moment variation explores the chromatographic equipment used for the dimension of substances, impurities, and excipients in pharmaceutical preparations--such as capsules, ointments, and injectables. encompasses a 148-page desk directory the chromatographic information of over 1300 medicinal drugs and similar substances--including pattern matrix analyzed, pattern dealing with strategies, column packings, cellular section, mode of detection, and extra.

    Handbook of Vibrational Spectroscopy

    THE DEFINITIVE source the 1st actually complete paintings on vibrational spectroscopy, supplying a one-stop reference for infrared, near-infrared and Raman spectroscopy. AUTHORITATIVE, . .. With contributions from said leaders within the box, the calibre of the editors and authors speaks for itself.

    Cyclic voltammetry: simulation and analysis of reaction mechanisms

    Cyclic Voltammetry is the one booklet completely dedicated to its topic and containing an information research venture written via the writer. starting with the basics of cyclic voltammetry from either an experimental and theoretical perspective, the writer makes a speciality of the functions in information interpretation with emphasis on chemical reactions and electrode aid potentials.

    Guide to Fluorine NMR for Organic Chemists

    Following its well-received predecessor, this ebook bargains a necessary consultant to chemists for realizing fluorine in spectroscopy. With over a thousand compounds and a hundred spectra, the second one version provides new info – that includes fluorine results on nitrogen NMR, chemical shifts, and coupling constants. •    Explains find out how to effectively contain fluorine into objective molecules and make the most of fluorine substituents to structurally signify natural compounds•    Includes new facts on nitrogen NMR, concentrating on N-15, to painting the impression of fluorine upon nitrogen NMR chemical shifts and coupling constants•    Expands on every one bankruptcy from the 1st variation with extra info and up to date dialogue from contemporary findings•    "The perfect ordering of fabric lined during this stand-alone quantity is such that details are available with ease.

    Extra resources for Advances in Mathematical Chemistry and Applications. Volume 1

    Example text

    R. 1988. POLLY v. 3: 1988; Copyright of the University of Minnesota. Basak, S. ; Grunwald, G. , APProbe. 1993; Copyright of the University of Minnesota. Randić, M. On Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615. H. 262. Filip, P. ; Balaban,T. ; Balaban, A. T. A new approach for devising local graph invariants: derived topological indices with low degeneracy and good correlation ability. J. Math. Chem. 1987, 1, 61-83. Basak, S, C. 1999. Information theoretic indices of neighborhood complexity and their applications, In: J.

    Comput. , 2004, 44, 618-625. ; Babić, D. Partial orderings in chemistry. J. Chem. Inf. Comput. , 1997, 37, 656-671. ; Bytautas, L. Directed reaction graphs as posets. MATCH Commun. Math. Comput. , 2000, 42, 261-290. J. Splinoid interpolation on finite posets. J. Comput. Appl. , 2005, 177, 175-185. ; Ivanciuc, O. Posetic cluster expansion for substitution-reaction diagrams and its application to cyclobutane. J. Math. , 2007, 41, 355-379. 40 Advances in Mathematical Chemistry and Applications, Vol.

    Discrete Appl. Math. 1988, 19, 17-44. Trinajstić, N. ; CRC Press: Boca Raton, FL, 1992, pp. 352. Wiener, H. Structural Determination of Paraffin Boiling Points. J. Am. Chem. Soc. 1947, 69, 17-20. Hosoya, H. Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332-2339. ; Mauri, A. ; Milan, Italy. 05, 2003; Hall Ass. ; Quincy, MA. Basak, S. ; Harriss, D. ; Magnuson, V. R. 1988. POLLY v.

    Download PDF sample

    Rated 4.06 of 5 – based on 37 votes