决策树算法在蛋白质二级结构预测问题中的应用研究

论文将决策树算法应用于蛋白质二级结构预测中,在蛋白质二级结构预测应用研究中,我们指出了在蛋白质二级结构预测问题中决策树分类属性的选择方法和决策树分类方法和决策树剪枝方法,并且比较了改进后的决策树算法和c45决策树算法在蛋白质二级结构预测问题中的应用效果。     

基于混合SVM方法的蛋白质二级结构预测算法

预测蛋白质二级结构,是当今生物信息学中一个难以解决的问题。由于预测蛋白质二级结构的精度在蛋白 质结构研究中起到非常重要的作用,因此在基于KDTICM理论基础上,提出一种基于混合SVM方法的蛋白质二级 结构预测算法。该算法有效地利用蛋白质的物化属性和PSI-SEARCH生成的位置特异性打分矩阵作为双层SVM的 输入,从而大大地提高了蛋白质二级结构预测的精度。实验比较分析表明,新算法的预测精度和普适性明显优于目前 其他典型的预测方法。     

基于混合SVM方法的蛋白质二级结构预测算法

预测蛋白质二级结构,是当今生物信息学中一个难以解决的问题.由于预测蛋白质二级结构的精度在蛋白质结构研究中起到非常重要的作用,因此在基于KDTICM理论基础上,提出一种基于混合SVM方法的蛋白质二级结构预测算法.该算法有效地利用蛋白质的物化属性和PSI-SEARCH生成的位置特异性打分矩阵作为双层SVM的输入,从而大大地提高了蛋白质二级结构预测的精度.实验比较分析表明,新算法的预测精度和普适性明显优于目前其他典型的预测方法.     

基于距离矩阵灰度图的蛋白质二级结构类型预测*

蛋白质二级结构预测在蛋白质结构预测中具有很重要的作用。基于伪氨基酸成分表示蛋白质的方法,能提高蛋白质结构和功能预测的成功率,利用蛋白质距离矩阵灰度图,基于几何矩提出了一种伪氨基酸构造方法,结合氨基酸的成分对蛋白质二级结构类型进行预测,通过国际公认的Jackknife检验方法显示预测成功率达到95.10%,比其他方法高出许多,说明此方法具有有效的分类效果。     

基于径向基函数蛋白质二级结构预测方法

文章针对蛋白质二级结构预测这一复杂非线性模式分类问题,提出了基于径向基函数的预测方法。在分析了基于神经网络预测方法的基础上,讨论了蛋白质二级结构预测算法研究中的数据选取、网络结构与参数对网络性能的影响,实验结果表明这一方法的可行性和有效性。     

合成金字塔预测模型中内含的改进型CBA预测方法*

蛋白质二级结构预测问题,是生物信息学领域中最为重要的任务之一,历经三十多年的研究,已取得了一些进展,尤其是近来集成预测模型与混合预测模型的引入,为预测精度带来了一定程度的提高,然而其离从二级结构推导三级结构的目标,仍然存在很大差距。为了有效提高蛋白质二级结构预测精度,以KDTICM理论的扩展性研究与KDD*模型为基础, 使用基于KDD*模型的关联分析蛋白质二级结构预测方法KAAPRO,提出一种基于支持度与可信度的复杂距离度量的CBA(classification based on association)     

基于交叉覆盖算法的蛋白质二级结构预测方法

蛋白质二级结构预测在蛋白质空间结构预测中起着承上启下的重要作用。近年来,大量的方法应用于二级结构预测中,其中,神经网络算法效果较好。但是,由于传统的神经网络存在结构复杂、学习速度慢、运行效率低、处理海量数据困难的缺陷,大大影响了预测的效果,因此,该文将一种基于构造性神经网络算法,也就是交叉覆盖算法应用于蛋白质二级结构预测中,另外,为了引入更多的同源家族结构的信息,采用了基于概率的Profile编码方式。通过实验证明将交叉覆盖算法运用在蛋白质二级结构预测中的可行性．并且比传统的神经网络方法有了更高的准确率。     

基于条件随机场进行蛋白质二级结构预测*

使用一种新的概率图模型——条件随机场对蛋白质二级结构进行预测,并给出了模型的构建、训练以及解码的算法。应用这一模型对一个典型的蛋白质数据集CB513的二级结构进行了预测,并将预测结果与其他方法进行比较,预测准确度有明显的提高。     

蛋白质二级结构预测方法的评价

蛋白质结构预测是后基因组时代的一项重要任务，蛋白质二级结构预测是蛋白质结构预测的关键步骤。现在一般认为，如果蛋白质二级结构的预测准确率达到80％的话，就可以基本准确地预测一个蛋白质分子的三维空间结构。目前蛋白质二级结构预测的方法不断涌现，提供二级结构预测的网站也逐渐增多。为给广大研究工作者在选择使用这些预测方法时提供一种参考，文章采用统一的标准对10种比较重要而且有效的方法进行测试，并在此基础上做出评价和分析，这10种方法是：GORI、PROF、GORⅣ、NNPREDICT、PHDsec、SSpro v 2．0、PSIPRED、PREDATOR、SOPMA和APSSP2。比较结果显示：APSSP2、SSpro v 2．0和PSIPRED方法的预测效果较好，可以作为使用时的首选方案，其中尤其以APSSP2方法的预测效果最佳。     

基于卷积长短时记忆神经网络的蛋白质二级结构预测

鉴于不同类型氨基酸的相互作用对蛋白质结构预测的影响不同,文中融合卷积神经网络和长短时记忆神经网络模型,提出卷积长短时记忆神经网络,并应用到蛋白质8类二级结构的预测中.首先基于氨基酸序列的类别信息和氨基酸结构的进化信息表示蛋白质序列,并采用卷积提取氨基酸残基之间的局部相关特征,然后利用双向长短时记忆神经网络提取蛋白质序列内部残基之间的远程相互作用,最后将提取的蛋白质的局部相关特征和远程相互作用用于蛋白质8类二级结构的预测.实验表明,相比基准方法,文中模型提高8类二级结构预测的精度,并具有良好的可扩展性.     

求解蛋白质结构预测问题的局部搜索算法

蛋白质结构预测问题是计算生物学领域的核心问题之一。通过理论计算的方法根据蛋白质氨基酸序列直接预测其空间结构是解决这一问题的有效途径。构造了新的邻域结构，采用了部分随机跳坑策略，对此问题提出了新的局部搜索算法。计算结果表明，该算法计算效率要优于传统的遗传算法和Monte Carlo方法。对于链长为50的算例还找到了文献中所没有的全新的最低能量构形。     

A new intelligent prediction system model-the compound pyramid model

A current development trend in research on intelligent systems is to optimize a general intelligent prediction system into an individuation intelligent prediction system that is applied in specialized fields. Protein structure prediction is a challenging international issue. In this paper, we propose a new intelligent prediction system model, designed as a multi-layer compound pyramid model, for predicting secondary protein structure. The model comprises four independent intelligent interfaces and several knowledge discovery methods. The model penetrates throughout the domain knowledge, with the effective attributes chosen by Causal Cellular Automata. Furthermore, a high pure structure database is constructed for training. On the RS126 dataset, the overall state per-residue accuracy, Q3, reached 83.99%, while on the CB513 dataset, Q3 reached 85.58%. Meanwhile, on the CASP8 sequences, the results are superior to those produced by other methods, such as Psipred, Jpred, APSSP2 and BehairPred. These results confirm that our method has a strong generalization ability, and that it provides a model for the construction of other intelligent systems.     

Protein Structure from Contact Maps: A Case-Based Reasoning Approach

Determining the three-dimensional structure of a protein is an important step in understanding biological function. Despite advances in experimental methods (crystallography and NMR) and protein structure prediction techniques, the gap between the number of known protein sequences and determined structures continues to grow. Approaches to protein structure prediction vary from those that apply physical principles to those that consider known amino acid sequences and previously determined protein structures. In this paper we consider a two-step approach to structure prediction: (1) predict contacts between amino acids using sequence data; (2) predict protein structure using the predicted contact maps. Our focus is on the second step of this approach. In particular, we apply a case-based reasoning framework to determine the alignment of secondary structures based on previous experiences stored in a case base, along with detailed knowledge of the chemical and physical properties of proteins. Case-based reasoning is founded on the premise that similar problems have similar solutions. Our hypothesis is that we can use previously determined structures and their contact maps to predict the structure for novel proteins from their contact maps. The paper presents an overview of contact maps along with the general principles behind our methodology of case-based reasoning. We discuss details of the implementation of our system and present empirical results using contact maps retrieved from the Protein Data Bank. Funding provided by: The Natural Science and Engineering Research Council (Ottawa); Institute for Robotics and Intelligent Systems (Ottawa); Protein Engineering Network Center of Excellence (Edmonton)     

认知无线网络中频谱预测的协作策略设计

在多主用户（PU）、多认知用户（SU）的认知无线网络（CRN）场景中,研究了频谱预测的协作策略设计问题。将频谱预测的协作策略设计问题归纳为一个优化问题,以整个CRN的吞吐率最大为优化目标,对参与协作的SU数量和数据融合门限进行优化,并提出一种搜索算法求解此优化问题,这是首次对协作频谱预测中的协作策略进行研究。在此基础上,提出了基于分组的协作频谱预测策略,并设计其帧结构。仿真结果表明,这种基于分组的协作频谱预测策略在满足虚警概率要求的前提下,能够以更低的协作预测能耗,达到更高的CRN吞吐率,从而提高了协作频谱预测的效率。     

Improving protein secondary structure predictions by prediction fusion

Protein secondary structure prediction is still a challenging problem at today. Even if a number of prediction methods have been presented in the literature, the various prediction tools that are available on-line produce results whose quality is not always fully satisfactory. Therefore, a user has to know which predictor to use for a given protein to be analyzed. In this paper, we propose a server implementing a method to improve the accuracy in protein secondary structure prediction. The method is based on integrating the prediction results computed by some available on-line prediction tools to obtain a combined prediction of higher quality. Given an input protein p whose secondary structure has to be predicted, and a group of proteins F, whose secondary structures are known, the server currently works according to a two phase approach: (i) it selects a set of predictors good at predicting the secondary structure of proteins in F (and, therefore, supposedly, that of p as well), and (ii) it integrates the prediction results delivered for p by the selected team of prediction tools. Therefore, by exploiting our system, the user is relieved of the burden of selecting the most appropriate predictor for the given input protein being, at the same time, assumed that a prediction result at least as good as the best available one will be delivered. The correctness of the resulting prediction is measured referring to EVA accuracy parameters used in several editions of CASP.     

Toy模型蛋白质折叠问题的随机扰动粒子群解法

Toy模型蛋白质折叠问题是一个计算生物学中典型的NP难题。提出了一种随机扰动粒子群结合爬山优化的算法,应用二维Toy模型进行蛋白质折叠结构预测,在Fibonacci测试序列及真实蛋白质序列上的测试结果验证了算法的良好性能。     

Evolutionary decision rules for predicting protein contact maps

Protein structure prediction is currently one of the main open challenges in Bioinformatics. The protein contact map is an useful, and commonly used, representation for protein 3D structure and represents binary proximities (contact or non-contact) between each pair of amino acids of a protein. In this work, we propose a multi-objective evolutionary approach for contact map prediction based on physico-chemical properties of amino acids. The evolutionary algorithm produces a set of decision rules that identifies contacts between amino acids. The rules obtained by the algorithm impose a set of conditions based on amino acid properties to predict contacts. We present results obtained by our approach on four different protein data sets. A statistical study was also performed to extract valid conclusions from the set of prediction rules generated by our algorithm. Results obtained confirm the validity of our proposal.     

基于OET-KNN算法的蛋白质二级结构类型预测

蛋白质二级结构类型预测是当今生物信息学研究的热点之一。利用氨基酸数字编码模型将氨基酸序列转换成数字信号,根据LZ复杂度的算法计算了氨基酸的伪氨基酸成分,再对伪氨基酸成分用OET-KNN算法进行分类预测。Jackknife测试结果表明该算法能使得预测成功率有较大的提高。     

蛋白质折叠计算机模拟研究进展

蛋白质折叠过程中的结构变异可能导致"折叠病",比如老年痴呆症和多聚谷氨酰胺疾病等。因此蛋白质折叠研究对于揭示"折叠病"致病机理、指导药物设计等具有重大意义。文章阐述了蛋白质折叠计算机模拟研究的研究近况,分别介绍了蛋白质侧链研究、蛋白质折叠算法、蛋白质折叠病研究、蛋白质的分子动力学模拟和蛋白质结构预测等几个方面。