Multiple chemical programs for an array of chemical reactors with a single array of reactants

A computer system for executing a plurality of chemical experiments for synthesis of a new molecule in parallel in an array of chemical reactors using a single array of substance containers, the computer system comprising:

• one or more computer processors, one or more computer-readable storage media, and program instructions stored on the one or more computer-readable storage media for execution by at least one of the one or more processors, wherein the computer system is configured such that, when being executed by the at least one of the one or more processors, the program instructions cause the computer system to perform a method comprising:
• receiving information which defines chemical reactions and associated reactants from the single array of substance containers for each of the plurality of chemical experiments for synthesis of the new molecule;
• building a record for each of the plurality of chemical experiments based on the received information, wherein each record comprises a key and a data field, wherein the key is a string of sorted characters indicative of reactants required for respective chemical reactions, and wherein the data field comprises a recipe for synthesizing the new molecule;
• sorting the records into a set of groups, wherein the records in each group of the set of groups are ordered in a sequence, wherein each subsequent record in the sequence comprises a combination of reactants of an immediately preceding record and at least one additional reactant to minimize washing, cleaning and refilling the array of chemical reactors between each chemical reaction;
• assigning each group of the set of groups to at least one chemical reactor of the array of chemical reactors;
• and
• executing each chemical experiment of the plurality of chemical experiments for synthesis of the new molecule based on the sorted records, wherein each chemical experiment is performed according to the sequence of each group in the assigned chemical reactor.

A computer program product for executing a plurality of chemical experiments for synthesis of a new molecule in parallel in an array of chemical reactors using a single array of substance containers, the computer program product comprising:

• one or more computer-readable storage medium and program instructions stored on at least one of the one or more computer-readable storage medium, the program instructions executable by a computing system to cause the computing system to perform a method comprising:
• receiving information which defines chemical reactions and associated reactants from the single array of substance containers for each of the plurality of chemical experiments for synthesis of the new molecule;
• building a record for each of the plurality of chemical experiments based on the received information, wherein each record comprises a key and a data field, wherein the key is a string of sorted characters indicative of reactants required for respective chemical reactions, and wherein the data field comprises a recipe for synthesizing the new molecule;
• sorting the records into a set of groups, wherein the records in each group of the set of groups are ordered in a sequence, wherein each subsequent record in the sequence comprises a combination of reactants of an immediately preceding record and at least one additional reactant to minimize washing, cleaning and refilling the array of chemical reactors between each chemical reaction;
• assigning each group of the set of groups to at least one chemical reactor of the array of chemical reactors;
• and
• executing each chemical experiment of the plurality of chemical experiments for synthesis of the new molecule based on the sorted records, wherein each chemical experiment is performed according to the sequence of each group in the assigned chemical reactor.