This brief perspective outlines the pivotal role of Machine Learning methods in the green, digital transition of industrial chemistry. The focus on homogenous catalysis highlights the recent methodologies in the development of industrial processes, including the design of new catalysts and the enhancement of sustainable reaction conditions to lower production costs. We report several examples of Machine Learning assisted methodologies through recent Data Science trends in the innovation of industrial homogeneous organocatalytic systems. We also stress the current benefits, drawbacks, and limitations of the mass implementation of these Data Science methodologies.
Keywords: Machine Learning, Homogeneous Catalysis, Catalyst Design, Data Science.