Method and system for predicting affinity between drug and target
AssigneeAlibaba (China) Co., Ltd.
InventorsYing Chi, Peiran Jiang
Life of this patent
Estimating the term…
Abstract
Prediction of an affinity between a drug and a target is disclosed. The drug and the target for interacting with the drug are acquired. An interaction is caused between the drug and the target to determine the compound. Topological structure graphs for labeling spatial characteristics of atoms in the compound are computed. An affinity between the drug and the target based on the topological structure graphs is determined.
Claims24
A method, comprising:
- acquiring a drug and a target for interacting with the drug;
- causing an interaction between the drug and the target to determine a compound;
- computing topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- determining an affinity between the drug and the target based on the topological structure graphs.
A system, comprising:
- a processor;
- and
- a memory coupled with the processor, wherein the memory is configured to provide the processor with instructions which when executed cause the processor to:
- acquire a drug and a target for interacting with the drug;
- cause an interaction between the drug and the target to determine a compound;
- compute topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- determine an affinity between the drug and the target based on the topological structure graphs.
A computer program product being embodied in a tangible non-transitory computer readable storage medium and comprising computer instructions for:
- acquiring a drug and a target for interacting with the drug;
- causing an interaction between the drug and the target to determine a compound;
- computing topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- determining an affinity between the drug and the target based on the topological structure graphs.
A method, comprising:
- determining processing resources corresponding to an affinity prediction service;
- acquiring, using the processing resources, a drug and a target for interacting with the drug;
- causing, using the processing resources, an interaction between the drug and the target to determine a compound;
- computing, using the processing resources, topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- determining, using the processing resources, an affinity between the drug and the target based on the topological structure graphs.
A system, comprising:
- a processor;
- and
- a memory coupled with the processor, wherein the memory is configured to provide the processor with instructions which when executed cause the processor to:
- determine processing resources corresponding to an affinity prediction service;
- acquire, using the processing resources, a drug and a target for interacting with the drug;
- cause, using the processing resources, an interaction between the drug and the target to determine a compound;
- compute, using the processing resources, topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- determine, using the processing resources, an affinity between the drug and the target based on the topological structure graphs.
A computer program product being embodied in a tangible non-transitory computer readable storage medium and comprising computer instructions for:
- determining processing resources corresponding to an affinity prediction service;
- acquiring, using the processing resources, a drug and a target for interacting with the drug;
- causing, using the processing resources, an interaction between the drug and the target to determine a compound;
- computing, using the processing resources, topological structure graphs for labeling spatial characteristics of atoms in the compound;
- and
- is determining, using the processing resources, an affinity between the drug and the target based on the topological structure graphs.
Dependencies are inferred from the claim text.