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Fig. 3 | Algorithms for Molecular Biology

Fig. 3

From: Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach

Fig. 3

Running times. Running times of the ILP solved with COIN-OR and the DP dependent on the number of items n, showing that the DP is significantly faster than the ILP (left). The running time of the DP actually depends on the number of items times the scaled capacity \(10^3 \cdot n \cdot (\tilde{c} + \epsilon )\) (right). Note that one instance is not shown for visibility reasons. The excluded instance has 3640 items and running times of 0.42 s and 1.26 s for the DP and ILP, respectively

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