User-configurable generic experiment class for combinatorial material research

• US 7,908,285 B2
• Filed: 04/30/2007
• Issued: 03/15/2011
• Est. Priority Date: 01/24/2003
• Status: Active Grant

• Current Assignee: Dassault Systemes Americas Corp. (Dassault Systemes SA)
• Original Assignee: Symyx Solutions, Inc.
• Inventors: Dorsett, David R. Jr.
• Primary Examiner(s): CHEN, TE Y
• Application Number:
  US11/799,380
• Publication Number:
  US 20070203951A1
• Time in Patent Office: 1,415 Days
• Field of Search: None
• US Class Current: 707/756
• CPC Class Codes: G06F 16/289 Object oriented databases
• CPC Class Codes: G16C 20/90 Programming languages; Computing architectures; Database systems; Data warehousing
• CPC Class Codes: Y10S 707/954 Relational
• CPC Class Codes: Y10S 707/955 Object-oriented
• CPC Class Codes: Y10S 707/99933 Query processing, i.e. searching
• CPC Class Codes: Y10S 707/99945 Object-oriented database structure processing

Abstract

Methods and apparatus, including computer program products, implement techniques for processing experimental data in a laboratory data management system. An input specifies a set of variable definitions that define a set of variables for an experiment type to be represented by a pre-defined experiment class. The variables in the set of variables have types selected from a predefined set of data types. Data from an experiment of the experiment type is received. A first representation of the data is stored in a format defined according to the set of variable types. A second representation of the data, derived from the first representation, is presented in a format defined according to the set of variable definitions.

Claims

1. A computer-implemented method for processing experimental data in a laboratory data management system according to an object model, the object model including a first pre-defined experiment class that is configured to be instantiated to define one or more experiment objects that represent data for particular experiments in the laboratory data management system, the method comprising:

receiving, by a processor, input specifying a first set of one or more variable definition objects defining a set of variables for a first experiment type to be represented by the one or more instances of the first pre-defined experiment class, the variables in the set of variables having types selected from a predefined set of data types including attributes that are configured to be used to represent data for experiments in the laboratory data management system;

receiving, by the processor, data for an experiment of the first experiment type, the data including a plurality of values corresponding to variables defined in the first set of one or more variable definition objects;

storing a sparse representation of the data for the experiment of the first experiment type in a relational database table according to the set of types defined by the first set of one or more variable definition objects; and

presenting a dense representation of the data for the experiment of the first experiment type, the dense representation being derived from the sparse representation by removing at least one empty data field from the sparse representation, and being presented in a relational database table defined according to the first set of one or more variable definition objects.

2. The method of claim 1, wherein the input specifying the first set of one or more variable definition objects includes input defining an experiment name, and, for each variable in the first set of one or more variable definition objects, input defining a variable name and a datatype.

3. The method of claim 1, wherein:

the sparse representation includes an entry for each of the plurality of values; and

the dense representation includes an entry representing values for two or more variables defined in the first set of variables.

4. The method of claim 3, wherein:

each entry is a row in the corresponding relational database table.

5. The method of claim 3, wherein:

the data for the experiment of the first experiment type includes values for a plurality of members of a library of materials; and

the dense representation includes an entry representing values for two or more variables for a member of the library.

6. The method of claim 3, wherein:

the dense representation includes columns corresponding to the defined variables.

7. The method of claim 1, further comprising:

receiving a set of data for a second experiment type, the set of data including one or more values corresponding to a set of variables defined in a second pre-defined experiment class of the object model; and

storing and presenting a representation of the data of the second experiment type in a relational database table defined according to the second pre-defined experiment class of the object model.

8. The method of claim 1, further comprising:

receiving input specifying a second set of one or more variable definition objects defining a set of variables for a second experiment type, the variables in the set of variables for the second experiment type having types selected from the predefined set of data types;

receiving data for an experiment of the second experiment type, the data including a plurality of values corresponding to variables defined in the second set of one or more variable definition objects;

storing a sparse representation of the data for the experiment of the second experiment type in a relational database table according to the set of types defined by the second set of one or more variable definition objects; and

presenting a dense representation of the data for the experiment of the second experiment type, the dense representation being derived from the sparse representation by removing at least one empty data field from the sparse representation, and being presented in a relational database table defined according to the second set of one or more variable definition objects.

9. The method of claim 1, wherein the relational database table for the dense representation of the data for the experiment of the first experiment type is presented in a name-value format.

10. A computer program product, tangibly stored on a non-transitory computer-readable medium, for processing experimental data in a laboratory data management system according to an object model, the object model including a first pre-defined experiment class that is configured to be instantiated to define one or more experiment objects that represent data for particular experiments in the laboratory data management system, the product comprising instructions operable to cause a programmable processor to:

receiving, by a processor, input specifying a first set of one or more variable definition objects defining a set of variables for a first experiment type to be represented by one or more instances of the first pre-defined experiment class, the variables in the set of variables having types selected from a predefined set of data types including attributes that are configured to be used to represent data for experiments in the laboratory data management system;

receiving, by the processor, data for an experiment of the first experiment type, the data including a plurality of values corresponding to variables defined in the first set of one or more variable definition objects;

storing a sparse representation of the data for the experiment of the first experiment type in a relational database table according to the set of types defined by the first set of one or more variable definition objects; and

presenting a dense representation of the data for the experiment of the first experiment type, the dense representation being derived from the sparse representation by removing at least one empty data field from the sparse representation, and being presented in a relational database table defined according to the first set of one or more variable definition objects.

11. The computer program product of claim 10, wherein the input specifying the first set of one or more variable definition objects includes input defining an experiment name and, for each variable in the first set of one or more variable definition, input defining a variable name and a datatype.

12. The computer program product of claim 10, wherein:

the sparse representation includes an entry for each of the plurality of values; and

the dense representation includes an entry representing values for two or more variables defined in the first set of variables.

13. The computer program product of claim 12, wherein:

each entry is a row in the corresponding relational database table.

14. The computer program product of claim 12, wherein:

the data for the experiment of the first experiment type includes values for a plurality of members of a library of materials; and

the dense representation includes an entry representing values for two or more variables for a member of the library.

15. The computer program product of claim 12, wherein:

the dense representation includes columns corresponding to the defined variables.

16. The computer program product of claim 10, further comprising instructions operable to cause a programmable processor to:

receive a set of data for a second experiment type, the set of data including one or more values corresponding to a set of variables defined in a second pre-defined experiment class of the object model; and

store and present a representation of the data of the second experiment type in a relational database table defined according to the second pre-defined experiment class of the object model.

17. The computer program product of claim 10, further comprising instructions operable to cause a programmable processor to:

receive input specifying a second set of one or more variable definition objects defining a set of variables for a second experiment type, the variables in the set of variables for the second experiment type having types selected from the predefined set of data types;

receive data for an experiment of the second experiment type, the data including a plurality of values corresponding to variables defined in the second set of one or more variable definition objects;

store a sparse representation of the data for the experiment of the second experiment type in a relational database table according to the set of types defined by the second set of one or more variable definition objects; and

present a dense representation of the data for the experiment of the second experiment type, the dense representation being derived from the sparse representation by removing at least one empty data field from the sparse representation, and being presented in a relational database table defined according to the second set of one or more variable definition objects.