Method for screening compounds using consensus selection and multiple descriptor sets
AssigneeIcagen, Inc.
InventorsAlbert Van Rhee, Laura Van Zant
Life of this patent
Estimating the term…
Abstract
A method for screening compounds for biological activity is disclosed. A test library of compounds is selected. Then, a first analytical model is formed using a first recursive partitioning process. The first recursive partitioning process is performed on at least some of the compounds in the test library of compounds and uses a first descriptor set. Subsequent analytical models are formed using subsequent recursive partitioning processes using the digital computer and use multiple descriptor sets. A consensus compound set is determined using the first analytical model and one or more of the subsequent analytical models.
Claims24
A method for screening compounds for biological activity comprising:
- a) selecting a test library of compounds;
- b) forming a first analytical model using a first recursive partitioning process that uses a first descriptor set, a digital computer, and at least some of the compounds in the test library of compounds;
- c) forming a second analytical model using a second recursive partitioning process that uses a second descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- and
- d) determining a consensus compound set using at least the first analytical model and the second analytical model,
- wherein the first descriptor set and the second descriptor set have different groups of descriptors.
A computer readable medium comprising:
- a) code for selecting a test library of compounds;
- b) code for forming a first analytical model using a first recursive partitioning process that uses a first descriptor set, a digital computer, and at least some of the compounds in the test library of compounds;
- c) code for forming a second analytical model using a second recursive partitioning process that uses a second descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- and
- d) code for determining a consensus compound set using at least the first analytical model and the second analytical model,
- wherein the first descriptor set and the second descriptor set have different groups of descriptors.
A method for screening compounds for biological activity comprising:
- a) selecting a test library of compounds;
- b) forming a first analytical model using a first recursive partitioning process that uses a first descriptor set, a digital computer, and at least some of the compounds in the test library of compounds;
- c) forming a second analytical model using a second recursive partitioning process that uses a second descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- d) forming a third analytical model using a third recursive partitioning process that uses a third descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- and
- e) determining a consensus compound set using at least the first, second, and third analytical models,
- wherein the first, second, and third descriptor sets have different groups of descriptors.
A computer readable medium comprising:
- a) code for selecting a test library of compounds;
- b) code for forming a first analytical model using a first recursive partitioning process that uses a first descriptor set, a digital computer, and at least some of the compounds in the test library of compounds;
- c) code for forming a second analytical model using a second recursive partitioning process that uses a second descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- d) code for forming a third analytical model using a third recursive partitioning process that uses a third descriptor set, the digital computer, and at least some of the compounds in the test library of compounds;
- and
- e) code for determining a consensus compound set using at least the first, second, and third analytical models, wherein the first, second, and third descriptor sets have different groups of descriptors.
Dependencies are inferred from the claim text.