quantitative structure activity relationship (qsar)

What are the Future Directions for QSAR in Catalysis?

The future of QSAR in catalysis looks promising with the integration of more sophisticated computational techniques and richer datasets. The development of high-throughput experimental methods and computational chemistry tools will provide more comprehensive data for QSAR modeling. Additionally, the incorporation of multi-scale modeling approaches that consider both molecular and macroscopic factors could lead to more holistic and accurate predictions. Collaborative efforts between experimentalists and computational scientists will be crucial in advancing this field.

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