DESIGN OF COMBINATORIAL MATERIAL LIBRARIES

• Main Authors: VAN ERDEN, LYNN, SAFIR, ADAM, L, TURNER, STEPHEN, J, MCFARLAND, ERIC, W, LACY, STEVEN, D, WANG, PEI
• Format: Patent
• Language: English; French; German
• Published: 27.02.2002
• Edition: 7
• Subjects: APPARATUS THEREFOR; CALCULATING; CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOIDCHEMISTRY; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPUTING; COUNTING; ELECTRIC DIGITAL DATA PROCESSING; GENERAL METHODS OF ORGANIC CHEMISTRY; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES; METALLURGY; ORGANIC CHEMISTRY; PERFORMING OPERATIONS; PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL; PHYSICS; THEIR RELEVANT APPARATUS; TRANSPORTING

A computer-implemented method for generating a library design for a combinatorial library of materials, a combinatorial library being a collection of two or more members that contain some variance in chemical composition, chemical amount, reaction conditions, and/or processing conditions, a member being a single position in a library, the method comprising: defining a set of one or more sources and one or more destinations, each source being electronic data representing a component to be used in preparing the combinatorial library and each destination being electronic data representing a conceptual arrangement of cells representing a combinatorial library, the cells corresponding to members of the combinatorial library and/or locations on a physical substrate; defining one or more mappings, the mappings in the aggregate defining a composition for each of a plurality of materials assigned to a plurality of cells in the arrangement; defining one or more parameters, each parameter being electronic data being electronic data corresponding to a process condition to be applied to one or more cells of the arrangement representing the combinatorial library; defining one or more parameter values for each of the parameters, the parameter values representing an amount of the corresponding process condition to be applied to one or more of the cells of the arrangement; and generating a data file defining the library design, the data file comprising electronic data describing the source elements, the destination elements, the mappings, the parameters and the parameter values.