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. 2018 Mar 8;3(3):2825–2836. doi: 10.1021/acsomega.7b02045

Figure 1.

Figure 1

Two different representations of molecular fragments: (a) traditional sparse and one-hot representation and (b) distributed and dense representation developed in the present work. N = size of fragment vocabulary; k = number of elements in the fragment vectors (adjustable, e.g., 100 in the current work).