Graphic design of combinatorial material libraries

A computer program product on a computer-readable medium for generating a library design for a library of materials, the computer program product comprising instructions operable to cause a programmable processor to:

• provide a graphical user interface including a workspace for designing a library of materials;
• receive an input defining one or more sources and one or more destinations, each source being electronic data representing a chemical or mixture of chemicals to be used in preparing the library of materials and each destination being electronic data representing an arrangement of cells;
• display a visual representation of one or more of the one or more defined destinations in the workspace of the graphical user interface, each destination representation including a representation of one or more cells in the corresponding arrangement;
• receive first user input defining a first mapping, the first mapping being electronic data defining a gradient distribution pattern for assigning a first chemical or mixture of chemicals represented by one of the defined sources to a plurality of cells in the one or more defined destinations, the input specifying a minimum and a maximum amount of the first chemical or mixture of chemicals to be assigned to any of the plurality of cells and a gradient to be applied between the minimum and maximum amounts of the first chemical or mixture of chemicals across the plurality of cells;
• receive second user input defining a second mapping, the second mapping being electronic data defining a second distribution pattern describing an amount or amounts of a second chemical or mixture of chemicals to be distributed to one or more selected cells in the one or more arrangements, the one or more selected cells including one or more of the plurality of cells;
• use the first mapping to determine amounts of the first chemical or mixture of chemicals to be deposited in each of the plurality of cells and the second mapping to determine the amount or amounts of the second chemical or mixture of chemicals to be deposited in each of the one or more selected cells, wherein the amounts of the first and second chemicals or mixture of chemicals to be deposited in each of the one or more selected cells that are included in the plurality of cells are determined according to both the first mapping and the second mapping;
• and
• modify the visual representation of the one or more defined destinations to include a visual indication of the determined amounts of the first and second chemicals or mixtures of chemicals.

A computer-implemented method for generating a library design for a library of materials, comprising:

• defining a set of one or more sources and one or more destinations, each source being electronic data representing a chemical or mixture of chemicals to be used in preparing the library of materials and each destination being electronic data representing an arrangement of cells;
• receiving an input defining a mapping scheme for assigning the chemicals or mixtures of chemicals represented by the one or more sources to cells in the one or more destinations, the input specifying a set of equations for calculating amounts of the chemicals or mixtures of chemicals to be assigned to the cells in the one or more destinations;
• using the set of equations to calculate a composition of a plurality of materials to be prepared in the cells in the one or more destinations;
• and
• displaying a visual representation of the one or more defined destinations, the visual representation including a visual indication of the calculated compositions.

A computer program product on a computer-readable medium for generating a library design for a combinatorial library of materials, the computer program product comprising instructions operable to cause a programmable processor to:

• define a set of one or more sources and one or more destinations, each source being electronic data representing a chemical or mixture of chemicals to be used in preparing the library of materials and each destination being electronic data representing an arrangement of cells;
• receive an input defining a mapping scheme for assigning the chemicals or mixtures of chemicals represented by the one or more sources to cells in the one or more destinations, the input specifying a set of equations for calculating amounts of the chemicals or mixtures of chemicals to be assigned to the cells in the one or more destinations;
• use the set of equations to calculate a composition of a plurality of materials to be prepared in the cells in the one or more destinations;
• and
• display a visual representation of the one or more defined destinations, the visual representation including a visual indication of the calculated compositions.