A ML funnel selects Zn- and Cr-based MOFs scoring 1.2-1.7x above PCN-224(Zr), but the comparison uses the same fitness score that selected them.
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MatCreatioNN: Machine learning-guided computational discovery of photocatalysts for environmental applications
A ML funnel selects Zn- and Cr-based MOFs scoring 1.2-1.7x above PCN-224(Zr), but the comparison uses the same fitness score that selected them.