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

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 popular specialists in those volumes.

Each quantity contains a smart integration of mathematical and chemical thoughts and covers various 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 in part ordered units (posets) in chemistry, optimum characterization of molecular complexity utilizing graph idea, varied 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 practical idea 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 functional features of the basic techniques of mathematical chemistry
    • Covers purposes in varied 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 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 structures biology

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    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. Sci. , 1987, 21, 743-745. ; Basak, S. , Eds, Statistical and Machine Learning Approaches for Network Analysis, Wiley, Hoboken, New Jersey, USA, 2012.

    Ordering Thinking in Chemistry [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] Advances in Mathematical Chemistry and Applications, Vol. 1, (Revised Edition) 39 Willett, P. Textual and chemical information processing: different domains but similar algorithms. Inform. Res. html (accessed Jul. 2012). ; Winograd, T. The PageRank citation ranking: bringing order to the web. edu/pub/1999-66 (accessed Jul. 2012). Annoni, P. Different ranking methods: potentialities and pitfalls for the case of European opinion poll.

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