TY - JOUR

T1 - Philosophy of mathematical chemistry

T2 - A personal perspective

AU - Basak, Subhash C.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

KW - Mathematical chemistry

KW - Molecular graph

KW - Quantitative structureactivity relationship (QSARs)

UR - http://www.scopus.com/inward/record.url?scp=84884149587&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84884149587&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:84884149587

SN - 1433-5158

VL - 19

SP - 3

EP - 17

JO - Hyle

JF - Hyle

IS - 1

ER -