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Download PDF by Subhash C. Basak, Visit Amazon's Guillermo Restrepo Page,: 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: 1681081989

ISBN-13: 9781681081984

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 includes a smart integration of mathematical and chemical suggestions and covers a number of purposes 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 idea, diversified connectivity matrices and their polynomials, use of 2nd fingerprints in similarity-based digital screening, mathematical techniques to molecular constitution new release, comparison graphs, functions of molecular topology in drug layout, density sensible thought 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 recommendations of mathematical chemistry
    • Covers purposes in various components of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
    • Revised 2015 variation encompasses a new bankruptcy at the present panorama of hierarchical QSAR modeling
    • About 1/2 the e-book focuses totally on present paintings, new purposes, and rising methods 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 platforms biology

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

    Example text

    HYLE – Int. J. Phil. , 2012, 18, 3-22. Weyl, H. The mathematical way of thinking. Science 1940, 2394, 437-446. Klein, F. Vergleichende Betrachtungen über neuere geometrische Forschungen, Verlag von Andreas Deichert, Erlangen, 1872. Schummer, J. The chemical core of chemistry I: a conceptual approach. HYLE – Int. J. Phil. , 1998, 4, 129-162. ; Fujita, T. p-σ-π Analysis. A method for the correlation of biological activity and chemical structure. J. Am. Chem. , 1964, 86, 1616-1626. ; Kubinyi, H. , Wiley-VCH, Weinheim, 2009.

    The column shows that volatile alkali salt displaces absorbent earth and metallic substances from their combinations with acid spirits but does not displace fixed alkali from its combination with acid spirits. As pointed out in reference [17], Geoffroy found order amongst substances based on their reactivity with reference to a substance (top of the column). The chemical context [20], a relational one, is highlighted in the table as in the second column headed by acid of marine salt, silver reacts more favourably with the acid in question than mercury.

    D. Mathematical descriptors of proteomics maps: Background and applications, Curr. Opin. Drug Discov. , 2008, 11, 320-326. Basak, S. ; Gute, B. ; Witzmann, F. Characterization of toxicoproteomics maps for chemical mixtures using information theoretic approach, In: Principles and Practice of Mixtures Toxicology, M. , Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2010, pp. 215-232. Arcos, J. C. Structure-Activity Relationships: Criteria for Predicting the Carcinogenic Activity of Chemical Compounds, Environ.

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    Advances in Mathematical Chemistry and Applications. Volume 1 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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