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- W2002507029 abstract "Abstract A novel, general method for comparing chemical structures is presented. Structural features of chemical spaces are transformed into special sets called set spectra. Thus the structural properties are compared by means of corresponding set-spectra representations. Carboxylic acids and purine and pyrimidine bases were tested in regard to various aspects of their similarity and dissimilarity. A procedure illustrating the predictive potential of structural design is proposed and illustrated using a concrete example." @default.
- W2002507029 created "2016-06-24" @default.
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- W2002507029 date "1991-06-01" @default.
- W2002507029 modified "2023-09-27" @default.
- W2002507029 title "Set spectra of chemical spaces" @default.
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- W2002507029 doi "https://doi.org/10.1016/0166-1280(91)85233-w" @default.
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