This program can be used for the calculation of the selectivity of a kinetic resolution of a racemate, expressed as the “Enantiomeric Ratio” – the E-value (synonym for the selectivity “s”). The calculations are valid for irreversible reactions.

More detailed information on the theoretical background and of the merits and limits of the method is described in the help-file or in K. Faber, Biotransformations in Organic Chemistry, 7^th edition, Springer, Heidelberg, 2018, pp. 39-43. Detailed literature can be found here: Preparative Biotransformations, S. M. Roberts (Ed.), Wiley, 1995, pp. 75-76; Enzyme Microb. Technol., 1997, 21, pp 559-571.

Any suggestions and comments for improvements, corrections, desired additional features or hard- and software incompatibilities are highly welcome.

Further information:

• The numbers that are entered need to be between 1.0 and 99.9.
• If e.e. (Product) and Conversion are used to calculate the E-value, the Conversion must be greater than or equal to 30%. If e.e. (Substrate) and Conversion are used to calculate the E-value, the Conversion must be less than or equal to 70% to obtain meaningful E-values.
• If the calculated E-value is greater than 200 the result states “>200” due to the limits of the accuracy of the method.