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- W2009290790 abstract "Converting a non-unique connection table to a unique (canonical) name can be accomplished by assigning unique sequence numbers on the basis of topological (constitutional) properties. An algorithm is reported which performs this task by perceiving the topological symmetry of the molecule. A convention for assigning a single name to topologically unique structures which vary only in the position of π-electrons (resonance forms) is also presented." @default.
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- W2009290790 title "A unique computer representation for molecular structures" @default.
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- W2009290790 doi "https://doi.org/10.1016/s0003-2670(01)84043-5" @default.
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