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- A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space † †Electronic supplementary information (ESI) available: The codes used in this study can be found on GitHub: github.com/jensengroup/GB-GA/tree/v0.0 and github.com/jensengroup/GB-GM/tree/v0.0. See DOI: 10.1039/c8sc05372cAuthors: Jan H Jensen