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46 results about "Binding drugs" patented technology

Protein multi-source feature fusion drug-target affinity prediction method

PendingCN114724623AImprove the accuracy of affinity predictionChemical property predictionBiostatisticsProtein targetProtein structure
The invention discloses a method for predicting drug-target affinity based on protein multi-source feature fusion, which comprises the following steps: firstly, constructing a PPI network and an SSN network, extracting protein features from the networks, and then collecting protein features such as subcellular positions, sequence codes, functional sites and structural domains for protein characterization; and fusing multi-source features by using a variational graph auto-encoder, and finally, inputting the multi-source features into a full-connection layer in combination with drug branches to carry out affinity prediction. According to the invention, a PPI network and an SSN network are constructed, so that biological priori knowledge between a target protein and other proteins is learned in addition to focusing on the characteristics of the target protein; according to the method, the protein characteristics are extracted and fused from the aspects of protein interaction, sequence similarity and protein subcellular positions for the first time, so that the drug-target affinity is predicted, and the prediction accuracy is improved; in addition, the characteristic source of the protein does not comprise a protein structure, so that the dependence on the protein structure is abandoned.
Owner:OCEAN UNIV OF CHINA
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