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