Nature

Eighty delicious problems to work on, over and over, until they become second nature.

Eighty delicious problems to work on, over and over, until they become second nature.

Eighty delicious problems to work on, over and over, until they become second nature.

Eighty delicious problems to work on, over and over, until they become second nature.

研究背景 数据科学和机器学习（ML）在催化领域早有应用，但当时预测算法仅被用于建立各种催化反应的定量构效关系(QSPR)。直到最近50年，催化界才更广泛地采用数据驱动方法（图1a）用于研究。而在最近十年间，催化研究广泛利用数据科学概念（数据科学通过一系列分析技术（如统计推断、可视化等）为理解数据提供