Abstract: Computer-implemented methods, systems and apparatus, including computer program apparatus, provide techniques for designing a set of experiments to be performed with a set of resources. A plurality of experimental configurations are generated based on a set of parameters describing factors to be varied in the experiments and a set of constraints representing limitations on operations that can be performed with the set of resources. A set of experiments is defined based on a selected configuration. The constraints can be represented as patterns defining an application of a parameter to a set of one or more points of an experimental lattice.

Abstract: Computer-implemented methods, systems and apparatus, including computer program apparatus, provide techniques for designing a set of experiments to be performed with a set of resources. A plurality of experimental configurations are generated based on a set of parameters describing factors to be varied in the experiments and a set of constraints representing limitations on operations that can be performed with the set of resources. A set of experiments is defined based on a selected configuration. The constraints can be represented as patterns defining an application of a parameter to a set of one or more points of an experimental lattice.

Abstract: Computer-implemented methods, systems and apparatus, including computer program apparatus, provide techniques for designing a set of experiments to be performed with a set of resources. A plurality of experimental configurations are generated based on a set of parameters describing factors to be varied in the experiments and a set of constraints representing limitations on operations that can be performed with the set of resources. A set of experiments is defined based on a selected configuration. The constraints can be represented as patterns defining an application of a parameter to a set of one or more points of an experimental lattice.

Abstract: Methods and apparatus, including computer program apparatus, implementing techniques for designing sets of combinatorial experiments. A set of experimental parameters, sampling patterns, and constraints defines a set of experiments that is limited to a volume of a hyperspace defined by the set of experimental parameters. Parameters can be grouped by type such that grouped parameters are constrained to perform a common role in the set of experiments. The practicability of the experiment design can be estimated based on the number of experiments in the set of experiments. The experiment design can be used to prepare one or more combinatorial libraries.

Abstract: Methods for generating multiple rounds of combinatorial libraries, which use Monte Carlo methods to search the multi-dimensional composition and non-composition space of variables in combinatorial chemistry; the combinatorial libraries generated and screened by such Monte Carlo methods; and an apparatus for generating and screening such libraries robotically. The process involves preparing a first set of samples, then changing the composition and non-composition variables of the samples using Monte Carlo sampling methods, and accepting proposed new samples according to a detailed balance acceptance criterion.

Abstract: Methods and apparatus, including computer program products, implement techniques for generating library designs for sets of experiments. A library array including a plurality of elements represents an arrangement of experiments. A plurality of sources are defined to represent materials or conditions to be used in the experiments. A mapping sequence defines an ordered sequence of maps representing the application of sources to elements of the library array. A library design is generated, representing the library array, the sources, the maps and the mapping sequence. The library design specifies for each of a plurality of library elements amounts of one or more sources to be applied to the corresponding library element. The amounts are defined at least in part by the order of maps in the mapping sequence.

Abstract: Computer-implemented methods, systems and apparatus, including computer program apparatus, provide techniques for designing a set of experiments to be performed with a set of resources. A plurality of experimental configurations are generated based on a set of parameters describing factors to be varied in the experiments and a set of constraints representing limitations on operations that can be performed with the set of resources. A set of experiments is defined based on a selected configuration. The constraints can be represented as patterns defining an application of a parameter to a set of one or more points of an experimental lattice.