{"title":"利用支持向量机识别酶中的ß-发夹基序","authors":"Xingxing Liu, Xiuzhen Hu","doi":"10.1109/ICIS.2011.12","DOIUrl":null,"url":null,"abstract":"Based on enzyme sequence information and predicted secondary structure information as feature parameters, by using support vector machine (SVM), a novel method for identifying the ¦Â-hairpin motifs in enzymes is proposed. The method is trained and tested on an enzymes database of 4030 ¦Â-hairpins and 1780 non-¦Â-hairpins. For training dataset in 5-fold cross-validation, the overall accuracy is 91.00%, Matthew's correlation coefficient (MCC) is 0.79, and for testing dataset in independent test, the overall accuracy is 88.93%, MCC is 0.76. In addition, this method has been further used to predict 1345 ¦Â-hairpins which contain ligand binding sites. For training dataset in 5-fold cross-validation and for testing dataset in independent test, the overall accuracy reach 89.28% and 88.79%, MCC are 0.77 and 0.74, respectively.","PeriodicalId":256762,"journal":{"name":"2011 10th IEEE/ACIS International Conference on Computer and Information Science","volume":"4 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2011-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Identifying the ß-Hairpin Motifs in Enzymes by Using Support Vector Machine\",\"authors\":\"Xingxing Liu, Xiuzhen Hu\",\"doi\":\"10.1109/ICIS.2011.12\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Based on enzyme sequence information and predicted secondary structure information as feature parameters, by using support vector machine (SVM), a novel method for identifying the ¦Â-hairpin motifs in enzymes is proposed. The method is trained and tested on an enzymes database of 4030 ¦Â-hairpins and 1780 non-¦Â-hairpins. For training dataset in 5-fold cross-validation, the overall accuracy is 91.00%, Matthew's correlation coefficient (MCC) is 0.79, and for testing dataset in independent test, the overall accuracy is 88.93%, MCC is 0.76. In addition, this method has been further used to predict 1345 ¦Â-hairpins which contain ligand binding sites. For training dataset in 5-fold cross-validation and for testing dataset in independent test, the overall accuracy reach 89.28% and 88.79%, MCC are 0.77 and 0.74, respectively.\",\"PeriodicalId\":256762,\"journal\":{\"name\":\"2011 10th IEEE/ACIS International Conference on Computer and Information Science\",\"volume\":\"4 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2011-05-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2011 10th IEEE/ACIS International Conference on Computer and Information Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/ICIS.2011.12\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2011 10th IEEE/ACIS International Conference on Computer and Information Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ICIS.2011.12","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
摘要
以酶序列信息和预测的二级结构信息为特征参数,利用支持向量机(SVM),提出了一种识别酶中Â-hairpin基序的新方法。该方法在4030 μ t Â-hairpins和1780 μ t Â-hairpins的酶数据库上进行了训练和测试。对于5倍交叉验证的训练数据集,总体准确率为91.00%,马修相关系数(MCC)为0.79;对于独立测试的测试数据集,总体准确率为88.93%,MCC为0.76。此外,该方法还用于预测含有配体结合位点的1345 μ t Â-hairpins。对于5倍交叉验证的训练数据集和独立测试的测试数据集,总体准确率达到89.28%和88.79%,MCC分别为0.77和0.74。
Identifying the ß-Hairpin Motifs in Enzymes by Using Support Vector Machine
Based on enzyme sequence information and predicted secondary structure information as feature parameters, by using support vector machine (SVM), a novel method for identifying the ¦Â-hairpin motifs in enzymes is proposed. The method is trained and tested on an enzymes database of 4030 ¦Â-hairpins and 1780 non-¦Â-hairpins. For training dataset in 5-fold cross-validation, the overall accuracy is 91.00%, Matthew's correlation coefficient (MCC) is 0.79, and for testing dataset in independent test, the overall accuracy is 88.93%, MCC is 0.76. In addition, this method has been further used to predict 1345 ¦Â-hairpins which contain ligand binding sites. For training dataset in 5-fold cross-validation and for testing dataset in independent test, the overall accuracy reach 89.28% and 88.79%, MCC are 0.77 and 0.74, respectively.