Intelligent drug target affinity prediction method and process
The invention discloses an intelligent drug target affinity prediction method and process. The method comprises the following steps of S1, data extraction, S2, numeralization processing, S3, redundantinformation processing, S4, data splicing processing, S5, affinity prediction and S6, drug molecular...
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| creator | DU YU ZHAO LIANFENG HUANG MIAOLING JIA MENG WANG ZHONGYUN |
| description | The invention discloses an intelligent drug target affinity prediction method and process. The method comprises the following steps of S1, data extraction, S2, numeralization processing, S3, redundantinformation processing, S4, data splicing processing, S5, affinity prediction and S6, drug molecular factor prediction. According to the method, the variational automatic encoder is used for removinga lot of redundant information existing in the protein sequence feature vector, reducing the feature dimension and improving the prediction accuracy and efficiency; meanwhile, the quantitative structure-activity relationship between the pharmaceutical chemical mechanism and the target is established through a mathematical statistics method, so that the affinity prediction of the pharmaceutical chemical structure is calculated; thus, double-mode prediction analysis is carried out on drug and target affinity, prediction results can be integrated and analyzed, and the prediction accuracy is remarkably improved.
本发明公开了一种智 |
| format | Patent |
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本发明公开了一种智</description><subject>CALCULATING</subject><subject>COMPUTING</subject><subject>COUNTING</subject><subject>HANDLING RECORD CARRIERS</subject><subject>INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS</subject><subject>PHYSICS</subject><subject>PRESENTATION OF DATA</subject><subject>RECOGNITION OF DATA</subject><subject>RECORD CARRIERS</subject><fulltext>true</fulltext><rsrctype>patent</rsrctype><creationdate>2021</creationdate><recordtype>patent</recordtype><sourceid>EVB</sourceid><recordid>eNrjZLDzzCtJzcnJTE_NK1FIKSpNVyhJLEpPLVFITEvLzMssqVQoKEpNyUwuyczPU8hNLcnIT1FIzEsBiuYnpxYX8zCwpiXmFKfyQmluBkU31xBnD93Ugvz41OKCxOTUvNSSeGc_Q0MjEwtLc2NzR2Ni1AAAkQAxDw</recordid><startdate>20210312</startdate><enddate>20210312</enddate><creator>DU YU</creator><creator>ZHAO LIANFENG</creator><creator>HUANG MIAOLING</creator><creator>JIA MENG</creator><creator>WANG ZHONGYUN</creator><scope>EVB</scope></search><sort><creationdate>20210312</creationdate><title>Intelligent drug target affinity prediction method and process</title><author>DU YU ; ZHAO LIANFENG ; HUANG MIAOLING ; JIA MENG ; WANG ZHONGYUN</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-epo_espacenet_CN112489737A3</frbrgroupid><rsrctype>patents</rsrctype><prefilter>patents</prefilter><language>chi ; eng</language><creationdate>2021</creationdate><topic>CALCULATING</topic><topic>COMPUTING</topic><topic>COUNTING</topic><topic>HANDLING RECORD CARRIERS</topic><topic>INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS</topic><topic>PHYSICS</topic><topic>PRESENTATION OF DATA</topic><topic>RECOGNITION OF DATA</topic><topic>RECORD CARRIERS</topic><toplevel>online_resources</toplevel><creatorcontrib>DU YU</creatorcontrib><creatorcontrib>ZHAO LIANFENG</creatorcontrib><creatorcontrib>HUANG MIAOLING</creatorcontrib><creatorcontrib>JIA MENG</creatorcontrib><creatorcontrib>WANG ZHONGYUN</creatorcontrib><collection>esp@cenet</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>DU YU</au><au>ZHAO LIANFENG</au><au>HUANG MIAOLING</au><au>JIA MENG</au><au>WANG ZHONGYUN</au><format>patent</format><genre>patent</genre><ristype>GEN</ristype><title>Intelligent drug target affinity prediction method and process</title><date>2021-03-12</date><risdate>2021</risdate><abstract>The invention discloses an intelligent drug target affinity prediction method and process. The method comprises the following steps of S1, data extraction, S2, numeralization processing, S3, redundantinformation processing, S4, data splicing processing, S5, affinity prediction and S6, drug molecular factor prediction. According to the method, the variational automatic encoder is used for removinga lot of redundant information existing in the protein sequence feature vector, reducing the feature dimension and improving the prediction accuracy and efficiency; meanwhile, the quantitative structure-activity relationship between the pharmaceutical chemical mechanism and the target is established through a mathematical statistics method, so that the affinity prediction of the pharmaceutical chemical structure is calculated; thus, double-mode prediction analysis is carried out on drug and target affinity, prediction results can be integrated and analyzed, and the prediction accuracy is remarkably improved.
本发明公开了一种智</abstract><oa>free_for_read</oa></addata></record> |
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| subjects | CALCULATING COMPUTING COUNTING HANDLING RECORD CARRIERS INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS PHYSICS PRESENTATION OF DATA RECOGNITION OF DATA RECORD CARRIERS |
| title | Intelligent drug target affinity prediction method and process |
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