COMPUTING METHODS FOR CONTROL OF HIGH-THROUGHPUT EXPERIMENTAL PROCESSING, DIGITAL ANALYSIS, AND RE-ARRAYING COMPARATIVE SAMPLES IN COMPUTER-DESIGNED ARRAYS
First Claim
1. In a computing system for controlling automated high-throughput processing of an array having removable sample vials held by an array block, wherein the computing system is designed to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, and wherein the computing system provides computer-aided design and processing of an experimental formulation for each sample, each experimental formulation having the compound of interest and being based on at least one experimental variable which is varied as to at least some samples so that the effect in terms of changes in the chemical and/or physical properties of the compound of interest due to at least one variable can be identified across a number of comparative samples, a method of analyzing data from the comparative samples comprising steps for:
- inputting into the computing system at least one compound of interest and any additional components to be included in the experimental formulations that are to be designed for a first array of samples;
inputting into the computing system at least one selected experimental variable of interest that is to be varied as between at least some samples of the first array;
the computing system thereafter determining an experimental formulation for each sample that is different as between at least some samples based on the at least one selected experimental variable of interest that is varied as between the at least some samples of the first array;
the computing system thereafter controlling a process by which the experimental formulation for each sample is prepared in a removable sample vial held by an array block and tested in order to create changes in chemical and/or physical properties of the compound of interest across a number of comparative samples;
inputting to the computing system detected changes across the comparative samples for the at least one compound of interest;
the computing system thereafter automatically screening the samples of the first array by identifying those samples which contain chemical and/or physical properties most likely to lead to optimal formulation for a given use of a compound of interest, and storing as a first data set information as to the experimental formulation and the resulting chemical and/or physical properties for each of the identified samples;
removing from the array block sample those vials for samples not identified as part of the first data set, thereby forming a second array of samples contained by the array block by virtue of those sample not removed; and
the computing system thereafter controlling a process by which the identified samples remaining in the second array are further processed and/or tested in order to further identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest.
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Abstract
Computer-controlled automated high-throughput systems can be used to design, prepare, process, screen, and analyze a large number of samples in removable sample vials each containing a compound of interest formulated with differing component combinations and varying concentrations. The computer-controlled methods of the present invention allow for a determination of the effects of additional or inactive components, such as excipients, carriers, enhancers, adhesives, additives, and the like, on the compound of interest, such as a pharmaceutical. The invention thus encompasses the computer systems, computer methods, and computer-program products for computer-controlled automated high-throughput testing of experimental formulations in order to identify experimental formulations that can be further processed. Identified experimental formulations from multiple arrays can be removed and re-arrayed together to form a new array for further processing.
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Citations
13 Claims
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1. In a computing system for controlling automated high-throughput processing of an array having removable sample vials held by an array block, wherein the computing system is designed to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, and wherein the computing system provides computer-aided design and processing of an experimental formulation for each sample, each experimental formulation having the compound of interest and being based on at least one experimental variable which is varied as to at least some samples so that the effect in terms of changes in the chemical and/or physical properties of the compound of interest due to at least one variable can be identified across a number of comparative samples, a method of analyzing data from the comparative samples comprising steps for:
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inputting into the computing system at least one compound of interest and any additional components to be included in the experimental formulations that are to be designed for a first array of samples;
inputting into the computing system at least one selected experimental variable of interest that is to be varied as between at least some samples of the first array;
the computing system thereafter determining an experimental formulation for each sample that is different as between at least some samples based on the at least one selected experimental variable of interest that is varied as between the at least some samples of the first array;
the computing system thereafter controlling a process by which the experimental formulation for each sample is prepared in a removable sample vial held by an array block and tested in order to create changes in chemical and/or physical properties of the compound of interest across a number of comparative samples;
inputting to the computing system detected changes across the comparative samples for the at least one compound of interest;
the computing system thereafter automatically screening the samples of the first array by identifying those samples which contain chemical and/or physical properties most likely to lead to optimal formulation for a given use of a compound of interest, and storing as a first data set information as to the experimental formulation and the resulting chemical and/or physical properties for each of the identified samples;
removing from the array block sample those vials for samples not identified as part of the first data set, thereby forming a second array of samples contained by the array block by virtue of those sample not removed; and
the computing system thereafter controlling a process by which the identified samples remaining in the second array are further processed and/or tested in order to further identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest. - View Dependent Claims (3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13)
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2. In a computing system for controlling automated high-throughput processing of an array having removable sample vials held by an array block, wherein the computing system is designed to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, and wherein the computing system provides computer-aided design and processing of an experimental formulation for each sample, each experimental formulation having the compound of interest and being based on at least one variable which is varied as to at least some samples so that the effect in terms of changes in the chemical and/or physical properties of the compound of interest due to at least one experimental variable can be identified across a number of comparative samples, a computer-program product for implementing a method of analyzing data from the comparative samples, the computer-program product comprising a computer-readable medium containing computer-executable instructions for causing the computing system to execute the method, and wherein the method is comprised of steps for:
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inputting into the computing system at least one compound of interest and any additional components to be included in the experimental formulations that are to be designed for a first array of samples;
inputting into the computing system at least one selected experimental variable of interest that is to be varied as between at least some samples of the first array;
the computing system thereafter determining an experimental formulation for each sample that is different as between at least some samples based on the at least one selected experimental variable of interest that is varied as between the at least some samples of the first array;
the computing system thereafter controlling a process by which the experimental formulation for each sample is prepared in a removable sample vial held by an array block and tested in order to create changes in chemical and/or physical properties of the compound of interest across a number of comparative samples;
inputting to the computing system detected changes across the comparative samples for the at least one compound of interest;
the computing system thereafter automatically screening the samples of the first array by identifying those samples which contain chemical and/or physical properties most likely to lead to optimal formulation for a given use of a compound of interest, and storing as a first data set information as to the experimental formulation and the resulting chemical and/or physical properties for each of the identified samples;
the computing system thereafter causing removal from the array block those sample vials for samples not identified as part of the first data set, thereby forming a second array of samples contained by the array block by virtue of those sample not removed; and
the computing system thereafter controlling a process by which the identified samples remaining in the second array are further processed and/or tested in order to further identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest.
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Specification