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. 2017 Jun 7;9:35. doi: 10.1186/s13321-017-0211-5

Table 4.

First, second and third order NS—matrices for Isonicotinic Acid, obtained by applying three types of topological constraints (cut-off): Self-Returning Walks (SRW), Non-Self-Returning Walks (NSRW) and a topological path cut-off distance from 2 to 5 (LAG [2–5])

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