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Advances in Mathematical Chemistry and Applications: Volume 1 by Subhash C. Basak; Guillermo Restrepo; Jose L. Villaveces is a scholarly article available to read on EtoBox.

What is Advances in Mathematical Chemistry and Applications: Volume 1 about?

Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in

Author

Subhash C. Basak; Guillermo Restrepo; Jose L. Villaveces

Publisher

Bentham Science Publishers

Published

2015

Language

EN

ISBN

9781681081984