逻辑回归
水准点(测量)
人工智能
试验装置
机器学习
集合(抽象数据类型)
特征(语言学)
计算机科学
鉴定(生物学)
回归
模式识别(心理学)
训练集
试验数据
序列(生物学)
数据集
代表(政治)
数学
统计
化学
植物
哲学
生物化学
语言学
政治学
程序设计语言
法学
地理
生物
大地测量学
政治
作者
Ruyu Dai,Wei Zhang,Wending Tang,Evelien Wynendaele,Qizhi Zhu,Yannan Bin,Bart De Spiegeleer,Junfeng Xia
标识
DOI:10.1021/acs.jcim.0c01115
摘要
Blood-brain barrier peptides (BBPs) have a large range of biomedical applications since they can cross the blood-brain barrier based on different mechanisms. As experimental methods for the identification of BBPs are laborious and expensive, computational approaches are necessary to be developed for predicting BBPs. In this work, we describe a computational method, BBPpred (blood-brain barrier peptides prediction), that can efficiently identify BBPs using logistic regression. We investigate a wide variety of features from amino acid sequence information, and then a feature learning method is adopted to represent the informative features. To improve the prediction performance, seven informative features are selected for classification by eliminating redundant and irrelevant features. In addition, we specifically create two benchmark data sets (training and independent test), which contain a total of 119 BBPs from public databases and the literature. On the training data set, BBPpred shows promising performances with an AUC score of 0.8764 and an AUPR score of 0.8757 using the 10-fold cross-validation. We also test our new method on the independent test data set and obtain a favorable performance. We envision that BBPpred will be a useful tool for identifying, annotating, and characterizing BBPs. BBPpred is freely available at http://BBPpred.xialab.info.
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