COMPUTERIZED CONTROL OF HIGH-THROUGHPUT EXPERIMENTAL PROCESSING AND DIGITAL ANALYSIS OF COMPARATIVE SAMPLES FOR A COMPOUND OF INTEREST
First Claim
1. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, a method of computer-aided design for determining an experimental formulation for each sample, each experimental formulation 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 experimental variable can be identified across a large number of comparative samples for a compound of interest, the method comprising:
- inputting into the computing system at least one compound of interest to be included in each of a plurality of experimental formulations that are to be designed for the array of samples;
inputting into the computer system additional components to be formulated with the at least one compound of interest in the experimental formulations;
inputting into the computing system at least one experimental variable to be varied as between at least some of the samples of the array; and
the computing system thereafter designing a plurality of unique experimental formulations that differ as between at least some samples of the array based on at least one experimental variable that is varied as between the at least some samples of the array, each experimental formulation being designed at least in part based on at least one experimental variable.
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Accused Products
Abstract
The present invention relates to computer-controlled automated high-throughput systems and/or computer-program products to design, prepare, process, and analyze a large number of samples having experimental formulations each containing a compound of interest formulated with differing component combinations and varying concentrations and component identities. The computer-controlled methods of the present invention allow 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 pharmaceuticals. The invention thus encompasses the computer systems, computer methods, and computer-program products for computer-controlled automated high-throughput testing of pharmaceutical compositions or formulations in order to determine the overall optimal composition or formulation for an intended use or purpose.
101 Citations
37 Claims
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1. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, a method of computer-aided design for determining an experimental formulation for each sample, each experimental formulation 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 experimental variable can be identified across a large number of comparative samples for a compound of interest, the method comprising:
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inputting into the computing system at least one compound of interest to be included in each of a plurality of experimental formulations that are to be designed for the array of samples;
inputting into the computer system additional components to be formulated with the at least one compound of interest in the experimental formulations;
inputting into the computing system at least one experimental variable to be varied as between at least some of the samples of the array; and
the computing system thereafter designing a plurality of unique experimental formulations that differ as between at least some samples of the array based on at least one experimental variable that is varied as between the at least some samples of the array, each experimental formulation being designed at least in part based on at least one experimental variable. - View Dependent Claims (3, 4, 5, 6, 7)
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2. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest, a computer-program product for implementing a method of computer-aided design for determining an experimental formulation for each sample, each experimental formulation 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 experimental variable can be identified across a large number of comparative samples for a compound of interest, 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:
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inputting into the computing system at least one compound of interest and any additional components to be included in each of a plurality of experimental formulations that are to be designed for the array of samples;
inputting into the computer system additional components to be formulated with the at least one compound of interest in the experimental formulations;
inputting into the computing system at least one experimental variable to be varied as between at least some of the samples of the array; and
the computing system thereafter designing a plurality of unique experimental formulations that differ as between at least some samples based on at least one experimental variable that is varied as between the at least some samples of the array, each experimental formulation being designed at least in part based on at least one experimental variable.
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8. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest represented in the array, a method of computer-aided design for determining an experimental formulation for each sample, each experimental formulation 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 experimental variable can be identified across a large number of comparative samples for the compound of interest, the method comprising:
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inputting into the computing system a compound of interest to be included in each of a plurality of experimental formulations that are to be designed for the array of samples;
inputting into the computer system a plurality of additional components to be formulated with the compound of interest in the experimental formulations;
inputting into the computing system a plurality of experimental variables to be varied as between at least some of the samples of the array;
the computing system thereafter designing, for a first group of samples in the array, a first plurality of experimental formulations that are different as between at least some of the samples in the first group that are based on a first experimental variable that is varied among the first plurality of experimental formulations determined for the first group; and
the computing system also designing, for at least a second group of samples in the array, a second plurality of experimental formulations that are different as between at least some of the samples in the second group that are based on a second experimental variable that is varied as among the second plurality of experimental formulations determined for the second group. - View Dependent Claims (10, 11, 12, 13, 14)
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9. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order to identify chemical and/or physical properties leading to optimal formulation for a given use of a compound of interest represented in the array, a computer-program product for implementing a method of computer-aided design for determining an experimental formulation for each sample, each experimental formulation 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 experimental variable can be identified across a large number of comparative samples for the compound of interest, the computer-program product comprising a computer-readable medium for containing computer-executable instructions for causing the computing system to execute the method, and wherein the method is comprised of:
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inputting into the computing system a compound of interest to be included in each of a plurality of experimental formulations that are to be designed for the array of samples;
inputting into the computer system a plurality of additional components to be formulated with the compound of interest in the experimental formulations;
inputting into the computing system a plurality of experimental variables to be varied as between at least some of the samples of the array;
the computing system thereafter designing, for a first group of samples in the array a first plurality of experimental formulations that are different as between at least some of the samples in the first group that are based on a first experimental variable that is varied among the first plurality of experimental formulations determined for the first group; and
the computing system also designing, for at least a second group of samples in the array a second plurality of experimental formulations that are different as between at least some of the samples in the second group that are based on a second experimental variable that is varied as among the second plurality of experimental formulations determined for the second group.
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15. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order 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 experimental variable can be identified across a large number of comparative samples, a method of analyzing data from the large number of comparative samples comprising:
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inputting into the computing system at least one compound of interest and any additional components to be included in a plurality of experimental formulations that are to be designed for the 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 of the samples of the array;
the computing system thereafter designing a plurality of unique experimental formulations that differ as between at least some samples of the array based on the at least one selected experimental variable of interest that is varied as between the at least some samples of the array;
the computing system thereafter controlling a process by which an experimental formulation for each sample is prepared and tested in order to create changes across a large number of comparative samples for the at least one compound of interest in its chemical and/or physical properties;
inputting into the computing system detected changes across the large number of comparative samples for the at least one compound of interest; and
the computing system thereafter automatically screening the large number of samples by identifying those samples which contain chemical and/or physical properties likely to lead to an optimal formulation for a given use of a compound of interest. - View Dependent Claims (17, 18, 19, 20, 21, 22, 23)
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16. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order 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 experimental variable can be identified across a large number of comparative samples, a computer-program product for implementing a method of analyzing data from the large number of 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:
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inputting into the computing system at least one compound of interest and any additional components to be included in a plurality of experimental formulations that are to be designed for the 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 of the samples of the array;
the computing system thereafter designing a plurality of unique experimental formulations that differ as between at least some samples of the array based on the at least one selected experimental variable of interest that is varied as between the at least some samples of the array;
the computing system thereafter controlling a process by which an experimental formulation for each sample is prepared and tested in order to create changes across a large number of comparative samples for the at least one compound of interest in its chemical and/or physical properties;
inputting into the computing system detected changes across the large number of comparative samples for the at least one compound of interest; and
the computing system thereafter automatically screening the large number of samples by identifying those samples which contain chemical and/or physical properties likely to lead to an optimal formulation for a given use of a compound of interest.
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24. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order 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 experimental variable can be identified across a large number of comparative samples, a method of analyzing data from the large number of comparative samples comprising:
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inputting into the computing system at least one compound of interest and any additional components to be included in a plurality of 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 designing a plurality of unique experimental formulations that differ 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 an experimental formulation for each sample is prepared and tested in order to create changes in chemical and/or physical properties across a large number of comparative samples for the at least one compound of interest;
inputting into the computing system detected changes across the large number of comparative samples for the at least one compound of interest;
the computing system thereafter screening the large number of samples by identifying those samples which contain chemical and/or physical properties likely to lead to an 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;
inputting to the computing system at least one other selected experimental variable of interest that is to be varied as between at least some identified samples of the first data set;
the computing system thereafter designing a plurality of further experimental formulations for a second array having a large number of samples that are different as between at least some of the identified samples of the first data set based on the at least one further selected experimental variable of interest that is to be varied as between the at least some identified samples of the first data set;
the computing system thereafter controlling a process by which the plurality of further experimental formulations in the second array of samples are prepared and tested in order to create further changes in chemical and/or physical properties across further comparative samples for the at least one compound of interest;
inputting into the computing system detected further changes across the further comparative samples of the first data set for the at least one compound of interest;
the computing system thereafter screening the further comparative samples by identifying changes in chemical and/or physical properties and storing as a second data set information as to the plurality of further experimental formulations and the resulting chemical and/or physical properties for each further comparative sample; and
the computing system thereafter selecting from the first and second data sets those samples which contain chemical and/or physical properties likely to lead to an optimal formulation for a given use of a compound of interest. - View Dependent Claims (26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37)
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25. In a computing system designed for controlling automated high-throughput processing of an array having a large number of samples in order 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 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 experimental variable can be identified across a large number of comparative samples for a compound of interest, a computer-program product for implementing a method of analyzing data from the large number of 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:
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inputting into the computing system at least one compound of interest and any additional components to be included in each of a plurality of experimental formulations that are to be designed for the 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 array;
the computing system thereafter designing a plurality of unique experimental formulations that differ 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 array;
the computing system thereafter controlling a process by which an experimental formulation for each sample is tested in order to create changes in chemical and/or physical properties across a large number of comparative samples for the at least one compound of interest;
inputting into the computing system detected changes across the large number of comparative samples for the at least one compound of interest;
the computing system thereafter screening the large number of samples by identifying those samples which contain chemical and/or physical properties likely to lead to an 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;
inputting to the computing system at least one other selected experimental variable of interest that is to be varied as between at least some identified samples of the first data set;
the computing system thereafter designing a plurality of further experimental formulations that for a second array having a large number of samples that are different as between at least some of the identified samples of the first data set based on the at least one further selected experimental variable of interest that is to be varied as between the at least some identified samples of the first data set;
the computing system thereafter controlling a process by which the plurality of further experimental formulations in the second array of samples are prepared and tested in order to create further changes in chemical and/or physical properties across further comparative samples for the at least one compound of interest;
inputting into the computing system detected further changes across the further comparative samples of the first data set for the at least one compound of interest;
the computing system thereafter screening the further comparative samples of the first data set by identifying changes in chemical and/or physical properties and storing as a second data set information as to the plurality of further experimental formulations and the resulting chemical and/or physical properties for each further comparative sample; and
the computing system thereafter selecting from the first and second data sets those samples which contain chemical and/or physical properties likely to lead to an optimal formulation for a given use of a compound of interest.
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Specification