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MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to Organic Flow Battery Electrolytes

Sungjin Kim, Adrian Jinich, Alán Aspuru-Guzik. MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to Organic Flow Battery Electrolytes. Journal of Chemical Information and Computer Sciences, 57(4):657-668, 2017. [doi]

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