Synthesizing combinatorial libraries of materials

Details Synthesizing combinatorial libraries of materials Synthesizing combinatorial libraries of materials

1999-05-05

2003-01-14

Morse, Gregory (Department: 2122)

Data processing: software development, installation, and managem

Software program development tool

Software project management

C717S116000, C717S108000, C717S163000, C717S164000, C717S165000, C717S100000, C700S001000, C700S230000, C707S793000

Reexamination Certificate

active

06507945

ABSTRACT:

MICROFICHE APPENDIX
This application includes, as Appendix A, a microfiche appendix titled “Appendix A—Microfiche of Source Code”, having one fiche with a total of 59 frames.
The foregoing portion of the disclosure of this patent document contains material that is subject to copyright protection. The copyright owner has no objection to the facsimile reproduction by anyone of the patent document or the patent disclosure, as it appears in the Patent and Trademark Office patent file or records, but otherwise reserves all copyright rights whatsoever.
BACKGROUND OF THE INVENTION
The present invention relates to methods and apparatus for controlling automated material-handling procedures.
Traditionally, the discovery and development of materials has predominantly been a trial and error process carried out by scientists who generate data one experiment at a time. This process suffers from low success rates, long time lines and high costs, particularly as the desired materials increase in complexity. When a material is composed of multiple components, theory provides little guidance and the large variety of combinations of components takes a substantial amount of time to prepare and analyze.
Combinatorial materials science addresses some of these challenges. Combinatorial materials science refers generally to methods for creating a collection (or “library”) of chemically diverse compounds or materials and/or to methods for rapidly testing or screening such libraries for desirable performance characteristics and properties. By parallel or rapid serial testing of many compounds or materials, combinatorial techniques accelerate the speed of research, facilitate breakthroughs and expand the amount of information available to researchers. Furthermore, the ability to examine the relationships between hundreds or thousands of materials in a short period of time enables scientists to make well-informed decisions in the discovery process and to identify unexpected trends.
Implementation of combinatorial screening methods depends on the ability to prepare libraries of materials using combinatorial synthetic techniques. These techniques typically employ a robot to automate library preparation and screening, and computer programs have been used to control such robots.
SUMMARY OF THE INVENTION
The invention features methods and apparatus, including computer program products, operable to control automated material handling procedures. The invention is particularly useful for controlling the automated synthesis and/or screening of combinatorial libraries, but is generally useful for controlling material handling procedures involving the transfer of materials from one or more source locations to one or more destination locations.
In general, in one aspect, the invention features a computer program on a computer-readable medium for controlling a material-handling apparatus. The program includes instructions operable to cause a programmable processor to provide an assortment of pre-programmed code objects; and receive from a user a selection and arrangement of pre-programmed code objects from the assortment. The assortment includes a first pre-programmed code object operable to receive an input defining one or more source components, one or more destination components and one or more mappings. Each mapping relates a source component and a destination component and defines one or more transfers of at least one source component material to at least one destination component locations. The selection defines a set of material handling steps. The arrangement defines an order of execution for the selected pre-programmed code objects.
Implementations of the invention can include one or more of the following advantageous features. The first pre-programmed code object is operable to interact with a user to receive a mapping. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations and the destination component with a destination location including an access port of an analytical device. The input is a recipe file including library design information defining the source component, the destination component and the mapping. The material handling steps define a procedure for synthesizing a combinatorial library of materials. The mapping defines a gradient for distributing the source component materials among the destination locations. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations, each of which has a source component material, and the destination component with a plurality of destination locations corresponding to a plurality of members of the combinatorial library. The assortment includes at least one second pre-programmed code object operable to label a mapping for processing by at least one third pre-programmed code object to be executed subsequently in the arrangement. The arrangement includes a logical hierarchy including a parent pre-programmed code object and at least one child pre-programmed code object. The parent pre-programmed code object is operable to define a condition determining whether the at least one child pre-programmed code object will be executed subsequently in the arrangement. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each mapping defined by the input. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each transfer defined by one of the one or more mappings. The condition is a “for” condition. The condition is a “while” condition. The condition is an “if” condition.
In general, in another aspect, the invention features a computer program for controlling an automated material-handling apparatus for carrying out a set of material-handling steps. The program includes instructions operable to cause a programmable processor to receive a recipe file comprising component information and mapping information; interact with a user to create a procedure for executing the set of material handling steps; and cause the automated material-handling apparatus to carry out the set of material-handling steps by executing the procedure. The mapping information relates a source component and a destination component. The mapping information defines one or more transfers of at least one source component material to at least one destination component location. The program includes instructions to provide to the user an assortment of pre-programmed code objects and receive from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user's selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.
Implementations of the invention can include one or more of the following advantageous features. The program includes instructions operable to cause a programmable processor to interact with a user to create a resource hierarchy including one or more resource objects defining at least one hardware device of the automated material-handling apparatus coupled to the programmable processor. The program includes instructions operable to cause a programmable processor to interact with a user to create a system hierarchy including one or more system objects defining one or more robot arms coupled to the at least one hardware device of the automated material-handling apparatus. The program includes instructions operable to cause a programmable processor to interact with a user to create a substrate hierarchy including one or more substrate objects defining a geometry for at least one substrate. The program includes instructions operable to cause a programmable processor to interact with a user to

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