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Figure 1 | BMC Bioinformatics

Figure 1

From: A molecular structure matching approach to efficient identification of endogenous mammalian biochemical structures

Figure 1

Scaffold selection and sorting process. In this example, it is assumed that the candidate compound (c q ) consists of 9 atoms and that subThr = 0.5 and superThr = 0.51. Therefore, minAC = [9 0.5] = 4 and m a x A C = 9 0.51 = 18 . (a) The hashed scaffolds list with minAC and maxAC identified. (b) The sorted scaffolds list consists of all the scaffolds with 9 atoms followed by those with 10 atoms followed by those with 8 atoms and so on.

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