ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The correlation between topological features of molecular structure and physicochemical as well as biological properties of molecules were examined for some sets of compounds, using graph-theoretical desciptions. It was found that the topological similarity plays a role in the determination of molecular properties for almost all compound sets studied. As a conclusion, one can presume that the less elaborated and complicated similarity measure based on the graphtheoretical description is sufficient in the case of distinct structure-property dependence.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560430202
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