Simplex Optimization of Reaction Yields

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Science  05 Sep 1975:
Vol. 189, Issue 4205, pp. 805-806
DOI: 10.1126/science.189.4205.805


The sequential simplex algorithm, an efficient optimization strategy, rapidly improved reaction yield as a function of time and temperature in the synthesis of π-C5H5Mo(CO)2CSN(CH3)2. The work demonstrates the feasibility and efficiency of the simplex design and suggests its application and usefulness in other syntheses.