Novel coronavirus traditional Chinese medicine formula recommendation method and system based on collaborative filtering

Abstract

The invention discloses a novel coronavirus traditional Chinese medicine formula recommendation method and system based on collaborative filtering, and the method comprises the steps: obtaining a compound of a three-medicine three-formula traditional Chinese medicine, carrying out the molecular docking of the compound and a new coronaprotein, and obtaining the binding affinity of the compound and the protein; based on ADME screening, screening the compound by combining affinity and a compound free energy docking threshold value to obtain an effective compound; obtaining traditional Chinese medicine molecular fingerprints according to the molecular fingerprints of the effective compounds contained in the traditional Chinese medicines, and constructing a traditional Chinese medicine similarity matrix according to the traditional Chinese medicine molecular fingerprints and traditional Chinese medicine efficacy trait characteristics; and screening the candidate traditional Chinese medicines based on the traditional Chinese medicine similarity matrix and a collaborative filtering algorithm to obtain a traditional Chinese medicine prescription recommendation scheme. A three-medicine three-prescription traditional Chinese medicine compound and new coronavirus protein are subjected to molecular docking, the combining capacity of traditional Chinese medicines and traditional Chinese medicine prescriptions and the new coronavirus protein is measured, meanwhile, traditional Chinese medicine prescriptions are recommended based on a collaborative filtering algorithm, and the effectiveness of the traditional Chinese medicine prescriptions on new coronavirus treatment is verified.

Description

technical field [0001] The invention relates to the technical field of drug recommendation, in particular to a method and system for recommending prescriptions of novel coronavirus traditional Chinese medicine based on collaborative filtering. Background technique [0002] The statements in this section merely provide background information related to the present invention and do not necessarily constitute prior art. [0003] At present, there are still no specific drugs that can achieve effective efficacy in the treatment of new coronary pneumonia. Although some studies have shown that chloroquine and remdesivir have certain curative effects, such as the articles on chloroquine published by Zhong Nanshan and others, it can effectively reduce the infection time; the experiment on the treatment of rhesus monkeys with new crown infection by remdesivir showed that after remdesivir The virus load in the lungs of animals treated with Wei was significantly reduced, and the damage...

AI Technical Summary

Problems solved by technology

However, it is still impossible to know whether the therapeutic effect is due to the main drug in the prescription, or whether the main components of the main drug play a therapeutic role or the overall effect of the prescription. In addition, since there is no specific therapeutic drug for Western medicine, it has great influence on the treatment and suppression of new crowns. Limitations, for traditional Chinese medicine prescriptions, use virtual screening to measure the ability of the drug and the new crown protein to verify the effect of the three medicines and three prescriptions on the new crown, and clarify the role of traditional Chinese medicine in the treatment of this new crown pneumonia

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