DBN algorithm based drug targeting protein action prediction method

Abstract

The invention discloses a DBN algorithm based drug targeting protein action prediction method. The method comprises the steps of extracting extended communication fingerprint of the drug by starting with the molecular structure of the drug; extracting tripeptide structural characteristic of the protein by starting with amino acid sequence of the protein, splicing the extended communication fingerprint of the drug and the tripeptide structural characteristic of the protein to compose a drug-protein characteristic vector, then inputting the drug-protein characteristic vector to a depth confidence network, wherein the output of the network is the probability of the drug-protein input by the network for the mutual action, and finally selecting a suitable threshold to judge the pair of the association is set up. The DBN algorithm based drug targeting protein action prediction method can give out possible interaction pair of drug-targeted protein rapidly without manual intervention, can accordingly save drug development and testing costs and speeds up drugging and discovery of new functions of drugs.

Description

technical field [0001] The present invention relates to the technical fields of artificial intelligence, machine learning, deep learning and precision medicine, in particular to a method for predicting the effect of a drug-targeted protein based on a DBN algorithm. Background technique [0002] Protein is an important substance in biological organisms, and it is the main bearer of life activities. The vast majority of drugs have an effect on the human body by interacting with proteins after entering the body. Drugs and biomacromolecules combine and interact with each other and act on the drug target. Drug action targets include: enzymes, ion channels, receptors, etc., which are all composed of proteins. Therefore, to study the mechanism of drug-protein interaction, Conducive to people's life and health safety. [0003] Traditional drug-targeted protein research uses biological experiments to confirm whether there is an interaction between the drug and the protein, which re...

AI Technical Summary

Problems solved by technology

[0004] The purpose of the present invention is to overcome the shortcomings and deficiencies of the prior art, and propose a method for predicting the effect of drug-targeted proteins based on the DBN algorithm, which can quickly give the drug-targeted protein without manual intervention. Possible interaction pairs, thereby saving the cost of drug development and testing, and speeding up the mining and discovery of new drug functions

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