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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 new growth 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 contains a smart integration of mathematical and chemical thoughts and covers a variety of purposes 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, purposes of partly ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph conception, diverse connectivity matrices and their polynomials, use of second fingerprints in similarity-based digital screening, mathematical techniques to molecular constitution iteration, comparison graphs, purposes of molecular topology in drug layout, density sensible conception of chemical reactivity, program of mathematical descriptors within the quantification of drug-likeness, software of pharmacophores in drug layout, and masses more.

    • Brings jointly either the theoretical and sensible elements of the basic options of mathematical chemistry
    • Covers functions in various parts of physics, chemistry, drug discovery, predictive toxicology, platforms biology, chemoinformatics, and bioinformatics
    • Revised 2015 version contains a new bankruptcy at the present panorama of hierarchical QSAR modeling
    • About 1/2 the publication focuses totally on present paintings, new purposes, and rising methods 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 structures biology

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

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    J. Med. Chem. 1996, 39, 2887-2893. I. HierS: Hierarchical scaffold clustering using topological chemical graphs. J. Med. Chem. 2005, 48, 3182-3193. Xu, J. A new approach to finding natural chemical structure classes. J. Med. Chem. 2002, 45, 5311-5320. ; Wille, R. Formal concept analysis: mathematical foundations, Springer-Verlag, Berlin, 1998. ; Mills, D. Comparison of SAR and QSAR approaches to mutagenicity of aromatic and heteroaromatic amines. Curr. Comput-Aid Drug. 2011, 7, 109-121. Ordering Thinking in Chemistry [56] [57] [58] [59] [60] [61] [62] [63] [64] [65] [66] [67] Advances in Mathematical Chemistry and Applications, Vol.

    T. Recent advances in QSAR studies: methods and applications (challenges and advances in computational chemistry and physics), Springer, Dordrecht, 2010, 8, 57-314. Stanton, D. QSAR and QSPR model interpretation using partial least squares (PLS) analysis. Curr. Comput-Aid Drug. 2012, 8, 107-127. A. The properties of known drugs. 1. Molecular frameworks. J. Med. Chem. 1996, 39, 2887-2893. I. HierS: Hierarchical scaffold clustering using topological chemical graphs. J. Med. Chem. 2005, 48, 3182-3193.

    Comput. , 2000, 42, 7-21. G. Affinity, That Elusive Dream, MIT Press, Cambridge, 2003, p. 135. Hässelbarth, W. The inverse problem of isomer enumeration. J. Comput. , 1987, 8, 700-717. ; Klein, D. Partially ordered sets: ranking and prediction of substances’ properties. Curr. Comput-Aid Drug. 2011, 7, 133-145. J. Predicting densities of nitrocubanes using partial orders. J. Math. Chem. 2011, 49, 1311-1321. P. Ranking and prioritization for multi-indicator systems, Springer, New York, 2011. ; Brüggemann, R.

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