Method and system for evaluating a potential ligand-receptor interaction
OwnerJoo Chuan Victor Tong, Ee Chee Reninventors
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Abstract
A method for evaluating a potential interaction between a ligand and a receptor is disclosed. The method comprises the step of: evaluating the potential interaction between the ligand and the receptor based on a predictive model trained using a database. The database describes the affinity with the receptor of a source ligand, and a plurality of additional ligands derived from the source ligand.
Claims21
A computer-implemented method for generating a predictive model for predicting ligand affinity with a receptor, the method comprising the steps of:
- (i) using at least one source ligand which is known to interact with the receptor, to generate a plurality of additional ligands;
- (ii) generating a database describing, for each of the plurality of additional ligands, a known or estimated affinity of the corresponding ligand with the receptor;
- (iii) training a predictive model using the database.
A computer system having a processor and a data storage device storing software operative by the software to cause the processor to generate a predictive model for predicting ligand affinity with a receptor, by
- (i) using at least one source ligand which is known to interact with the receptor, to generate a plurality of additional ligands;
- (ii) generating a database describing, for each of the plurality of additional ligands, a known or estimated affinity of the corresponding ligand with the receptor;
- and
- (iii) training a predictive model using the database.
A tangible data storage device, readable by a computer and containing instructions operable by a processor of a computer system to cause the processor to generate a predictive model for predicting ligand affinity with a receptor, by
- (i) using at least one source ligand which is known to interact with the receptor, to generate a plurality of additional ligands;
- (ii) generating a database describing, for each of the plurality of additional ligands, a known or estimated affinity of the corresponding ligand with the receptor;
- and
- (iii) training a predictive model using the database.
Dependencies are inferred from the claim text.