Automated de novo molecular design by hybrid machine intelligence and rule-driven chemical synthesis

Alexander Button, Daniel Merk, Jan A. Hiss, Gisbert Schneider. Automated de novo molecular design by hybrid machine intelligence and rule-driven chemical synthesis. Nat. Mach. Intell., 1(7):307-315, 2019. [doi]

Authors

Alexander Button

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Daniel Merk

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Jan A. Hiss

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Gisbert Schneider

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