RESEARCH PAPER · Journal of Cheminformatics · 2024
CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space
Christina Humer, Rachel Nicholls, Henry Heberle, Moritz Heckmann, Michael Pühringer, Thomas Wolf, Maximilian Lübbesmeyer, Julian Heinrich, Julius Hillenbrand, Giulio Volpin, Marc Streit
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