data mining and machine learning

What Types of Data are Used in Catalysis Machine Learning Models?

Data used in machine learning models for catalysis typically includes:
Experimental Data: Results from laboratory experiments, including reaction rates, yields, and selectivity.
Computational Data: Results from simulations and quantum chemical calculations.
Structural Data: Information about the molecular structure of catalysts and reactants.
Process Data: Conditions such as temperature, pressure, and concentration.

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