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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Bayesian optimization for conformer generation

Fig. 4

Frequency with which any method can find the lowest possible energy found by any of the search methods, from five independent trials. Note that Confab tends to use orders of magnitude more iterations than either BOA (EI and LCB) or uniform—the maximum number of iterations used for Confab is shown in Fig. 2, while a maximum of \(10^{2}\) iterations was used for both BOA and uniform random search

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