基于SVM的革兰氏阴性菌分泌系统蛋白识别方法

本文提出了一种基于SVM快速识别革兰氏阴性菌分泌系统蛋白的方法.该方法以氨基酸组成和位置特异性得分矩阵为最优特征集,充分考虑了蛋白质的序列信息及进化信息.实验结果表明,本文提出的方法对革兰氏阴性菌分泌系统蛋白具有较好的预测性能,可作为细菌分泌系统研究的有益补充.     

The Extended Linguistic Hellwig’s Methods Based on Oriented Fuzzy Numbers and Their Application to the Evaluation of Negotiation Offers

This study proposes a novel fuzzy framework for eliciting and organizing the preference information of the negotiator to allow for the evaluation of negotiation offers. The approach is based on verbal evaluation of negotiation options that operates with linguistic variables to handle vague preferences and operationalizes them through oriented trapezoidal fuzzy numbers. Two variants of the linguistic method based on Hellwig’s approach and oriented fuzzy numbers are proposed, which can be applied to building a scoring system for the negotiation template. Then, an example of determining such a scoring system and using it to evaluate the negotiation offers in typical multi-issue negotiation is shown. The results are discussed and compared with other methods known from the literature, in which the preference information is organized similarly but processed differently. The comparison shows that the presented methods can be an alternative to Simple Additive Weighting or TOPSIS methods that may also operate with oriented fuzzy numbers, but some of their characteristics may be problematic from the viewpoint of data interpretation. The former requires defuzzification of the global scores determined, while the latter requires the compulsory use of two reference points derived mechanically out of the negotiation space. By applying modified Hellwig’s approaches, the former and the latter may be easily avoided.     

Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach

Optimization of lead structures is crucial for drug discovery. However, the accuracy of such a prediction using the traditional molecular docking approach remains a major concern. Our study demonstrates that the employment of quantum crystallographic approach-counterpoise corrected kernel energy method (KEM-CP) can improve the accuracy by and large. We select human aldose reductase at 0.66 Å, cyclin dependent kinase 2 at 2.0 Å and estrogen receptor β at 2.7 Å resolutions with active site environment ranging from highly hydrophilic to moderate to highly hydrophobic and several of their known ligands. Overall, the use of KEM-CP alongside the GoldScore resulted superior prediction than the GoldScore alone. Unlike GoldScore, the KEM-CP approach is neither environment-specific nor structural resolution dependent, which highlights its versatility. Further, the ranking of the ligands based on the KEM-CP results correlated well with that of the experimental IC₅₀ values. This computationally inexpensive yet simple approach is expected to ease the process of virtual screening of potent ligands, and it would advance the drug discovery research.     

特征选择方法在信用评估指标选取中的应用

在信用评分模型中所运用的指标变量对模型的表现有重要的影响,指标选取方法的科学化规范化水平有待于进一步提高。本文研究了机器学习领域的特征选择方法在定量确定信用评分模型指标体系上的应用。以实际信用评估问题为例,对四种特征选择方法(ReliefF方法、基于相关性的方法、基于一致性的方法和包裹性)进行了比较试验,验证了特征选择方法可以在精简性、速度和准确率三个方面提高信用评分模型的表现。其中基于一致性的方法和包裹法表现优于Reli-efF方法和基于相关性的方法。     

PeSA: A software tool for peptide specificity analysis

The discovery and characterization of molecular interactions is crucial towards a better understanding of complex biological processes. Particularly protein-protein interactions (i.e., PPIs), which are responsible for a variety of cellular functions from intracellular signaling to enzyme-substrate specificity, have been studied broadly over the past decades. Position-specific scoring matrices (PSSM) in particular are used extensively to help determine interaction specificity or candidate interaction motifs at the residue level. However, not all studies successfully report their results as a candidate interaction motif. In many cases, this may be due to a lack of suitable tools for simple analysis and motif generation. Peptide Specificity Analyst (PeSA) was developed with the goal of filling this information gap and providing an easy to use software to aid peptide array analysis and motif generation. PeSA utilizes two models of motif creation: (1) frequency-based using a user-defined peptide list, and (2) weight-based using experimental binding results. The ability to produce motifs effortlessly will make studying, interpreting and disseminating peptide specificity results in an effortless and straightforward process.     

遗忘遗传算法及其在信用评分中的应用

为解决局部最优问题,将遗忘机制引入传统遗传算法中,提出了一种改进的遗忘遗传算法,给出了一种遗忘算子及其遗忘概率,通过在遗传过程中遗忘某些基因,增加了算法的搜索空间,使算法跳出局部最优,从而最大限度地避免早熟收敛.将该算法用于不同欠费率下的电信客户初始信用评分,找到信用权重的优化解,较好地解决了对高欠费率群体进行信用评分时,信用权重的适应值偏低的问题.实验结果表明所提算法有效可行.与标准遗传算法相比,本文所提算法可以获得更高质量的解.     

基于计算机仿真的Delphi专家评分法在景观桥梁视觉参数分析中的应用

针对传统视觉参数分析方法有主观性强、不能定量分析等缺陷,提出了一种比较客观、能进行定量分析的景观桥梁视觉参数分析的方法,即基于计算机仿真技术,建立了景观桥梁各参数的视觉分析模型,引入Delphi专家评分法对模型进行视觉参数分析,确定出视觉效果较好时的参数值,得到了景观桥最优造型.以某景区内的一座九孔拱桥为工程背景,成功应用该方法进行桥梁视觉参数分析,取得了良好视觉的效果.     

A computational model for non-conserved mature miRNAs from the rice genome

Several computational approaches employ the high complementarity of plant miRNAs to target mRNAs as a filter to recognize miRNA. Numerous non-conserved miRNAs are known with more recent evolutionary origin as a result of target gene duplication events. We present here a computational model with knowledge inputs from reported non-conserved mature miRNAs of Oryza sativa (rice). Sequence- and structure-based approaches were used to retrieve miRNA features based on rice Argonaute protein and develop a multiple linear regression (MLR) model (r² = 0.996, q²_cv = 0.989) which scored mature miRNAs as predicted by the MaturePred program. The model was validated by scoring test set (q² = 0.990) and computationally predicted mature miRNAs as external test set (q²_test = 0.895). This strategy successfully enhanced the confidence of retrieving most probable non-conserved miRNAs from the rice genome. We anticipate that this computational model would recognize unknown non-conserved miRNA candidates and nurture the current mechanistic understanding of miRNA sorting to unveil the role of non-conserved miRNAs in gene silencing.     

心电噪声与睡眠分期的关联分析

探索心电噪声与睡眠分期是否存在关联.统计觉醒、浅睡、深睡、眼动睡眠及睡眠时相转换间期的心电噪声分布情况.选取循环交替模式睡眠数据库的失眠组（N=7）与正常睡眠组（N=14）的心电进行比对分析,发现噪声时段主要分布于觉醒期（失眠组84.2%±16.0%,正常组53.6%±21.9%,P<0.01）与睡眠时相转换间期（失眠组9.4%±12.7%,正常组23.6%±14.0%,P<0.05）.睡眠中的心电噪声时段主要分布于觉醒期,其次分布于睡眠时相转换间期.     

提高足球射门命中率理论分析与实践

本文通过文献资料法和数据统计法,对影响射门命中率的几个相关问题加以分析与研究,并据此提出了一些建设性意见,以期能对提高我国足球运动中的射门命中率有所帮助。