High efficiency mapping of molecular variations to functional properties

A method for the selective variation of a multi-variable molecular synthesis to optimize a functional property of the reaction product, comprising:

• constructing a first order library of functional property output data obtained by reacting all first order library input variable combinations for said multi-variable synthesis and measuring said functional property for every reaction product, wherein said first order library input variable combinations comprise all values selected for each variable taken one at a time while the other variable values are held constant or randomized;
• ordering the values for each input variable according to their effect upon functional property optimization based upon said first order library functional property output data;
• constructing a second order library of functional property output data obtained by reacting a set of second order library input variable combinations coarsely sampled from said ordered input variables and measuring said functional property for every reaction product, wherein said second order library input variable combinations are assembled two variables at a time from said coarse sampling of ordered input variables while the other variable values, if any, are held constant or randomized;
• and
• interpolating among said functional property output data for optimization of said functional property.