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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation

Fig. 3

The three best scoring molecules found while optimising a set of simple properties using a population size of 1000. Shown examples are drawn randomly if the best score is held by several molecules. They are sampled from the final population of a randomly selected execution among the 10 performed runs for each property. plogP examples are not shown as they are very similar to the plogP examples

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