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- W2351214757 abstract "Systematic studies were made on graph theory in quantitative structure-activity/property relationships(QSAR/QSPR). Chemical shift sums for C - 13 nuclear magnetic resonance(NMR) in alkanes were well correlated with a novel molecular graph index, P1, called path of length one, as a simple proportional equation with good results:CSS = a + b P1 = (r = 0.9)." @default.
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- W2351214757 date "1998-01-01" @default.
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- W2351214757 title "On Graph Theory in QSAR/QSPR: Approach to C - 13 NMR Chemical Shift Sum in Alkanes with Intergater Path Index" @default.
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