Benchmark for molecular machine learning

CW091117 C7SC02664A MoleculeNet A Benchmark for Molecular Machine Learning   commissioned once accepted

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Scientists make open-source database to test programs that learn chemistry

A team at Stanford University in the US has developed a benchmark for machine learning in chemistry. By providing a consistent way to test different techniques across a range of chemical data, it aims to accelerate the growth of this new type of scientific problem-solving.