Article ID: CBB001320762

Philosophy of Mathematical Chemistry: A Personal Perspective (2013)

unapi

This article discusses the nature of mathematical chemistry, discrete mathematical chemistry in particular. Molecules and macromolecules can be represented by model objects using methods of discrete mathematics, e.g., graphs and matrices. Mathematical formalisms are further applied on the model objects to distill various quantitative characteristics. The end product of such an exercise can be a better understanding of chemistry, the development of quantitative scales for qualitative notions of chemistry, or an illumination of the structural basis of chemical and biological properties. The aforementioned aspects of mathematical chemistry are discussed based on my own practitioner's perspective. Keywords: molecular graph, mathematical chemistry, quantitative structure-activity relationship (QSARs).

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Description Includes a brief history of mathematical and chemical concepts but focuses on late twentieth century development and justification of mathematical modeling within chemistry.


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https://data.isiscb.org/isis/citation/CBB001320762/

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Authors & Contributors
Di Giacomo, Francesco
Brannon, James
Iwata, Naoya
Yavetz, Ido
Villaveces, José L.
Schiefsky, Mark J.
Concepts
Geometry
Mathematics
Mathematics and its relationship to science
Chemistry
Proof
Philosophy of mathematics
Time Periods
Ancient
Neolithic period
20th century, late
17th century
11th century
Places
Greece
Scotland
Rome (Italy)
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