首页 > 最新文献

2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops最新文献

英文 中文
A data aggregation framework for cancer subtype discovery 癌症亚型发现的数据聚合框架
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470250
S. N. Nagabhushan, T. Ahn, M. Srikanth, T. Park, Ajit S. Bopardikar, R. Narayanan
Personalized genomic medicine aims to revolutionize healthcare by applying our growing understanding of the molecular basis of disease for effective diagnosis and personalized therapy. Computational research in this arena has major challenges such as handling large volume of highly heterogeneous data sets. To extract knowledge, researchers must integrate data from several sources and efficiently query these large and diverse data sets. This presents daunting informatics challenges such as suitable data representation for computational inference (knowledge representation), linking heterogeneous data sets (data integration) and keeping track of the source of the data to be aggregated. Many of these challenges can be categorized as data integration problems. In this paper, we present relevant methodologies from the field of data integration as potential solution for such challenges encountered by computational biologist while handling diversified data. The work presented in the paper represents the first crucial step towards identifying cancer biomarkers leading to cancer pathways signatures and personalized medicine.
个性化基因组医学旨在通过应用我们对疾病分子基础的不断增长的理解来进行有效的诊断和个性化治疗,从而彻底改变医疗保健。该领域的计算研究面临着重大挑战,例如处理大量高度异构的数据集。为了提取知识,研究人员必须整合多个来源的数据,并有效地查询这些庞大而多样的数据集。这就提出了令人生畏的信息学挑战,例如适合计算推理的数据表示(知识表示)、链接异构数据集(数据集成)以及跟踪要聚合的数据源。这些挑战中的许多都可以归类为数据集成问题。在本文中,我们提出了数据集成领域的相关方法,作为计算生物学家在处理多样化数据时遇到的这些挑战的潜在解决方案。论文中提出的工作代表了确定癌症生物标志物的关键第一步,从而导致癌症途径签名和个性化医疗。
{"title":"A data aggregation framework for cancer subtype discovery","authors":"S. N. Nagabhushan, T. Ahn, M. Srikanth, T. Park, Ajit S. Bopardikar, R. Narayanan","doi":"10.1109/BIBMW.2012.6470250","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470250","url":null,"abstract":"Personalized genomic medicine aims to revolutionize healthcare by applying our growing understanding of the molecular basis of disease for effective diagnosis and personalized therapy. Computational research in this arena has major challenges such as handling large volume of highly heterogeneous data sets. To extract knowledge, researchers must integrate data from several sources and efficiently query these large and diverse data sets. This presents daunting informatics challenges such as suitable data representation for computational inference (knowledge representation), linking heterogeneous data sets (data integration) and keeping track of the source of the data to be aggregated. Many of these challenges can be categorized as data integration problems. In this paper, we present relevant methodologies from the field of data integration as potential solution for such challenges encountered by computational biologist while handling diversified data. The work presented in the paper represents the first crucial step towards identifying cancer biomarkers leading to cancer pathways signatures and personalized medicine.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91132374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deep learning for acupuncture point selection patterns based on veteran doctor experience of Chinese medicine 基于中医老将经验的深度学习取穴模式
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470346
Zhaohui Liang, Gang Zhang, Ziping Li, Jian Yin, W. Fu
The inheritance of clinical experience of veteran doctors of Chinese medicine (CM) plays a key role in the development and effectiveness enhancement of Chinese medicine in the history. The clinical experience are classified as the patterns of disease diagnosis and Chinese medical Zheng diagnosis, the identification of core elements of Zheng, the treatment experience and relation of herbal medicine formulae, Zheng and disease, and the common law of diagnosis and treatment in real practice. The source of the experience mainly originates from literature and manuscripts of CM masters, which are being electronically recorded during the last two decades. As a result, it makes feasible to apply data mining to the knowledge discovery through the experience of veteran CM doctors. However, the current focus on this field is limited to the published literature such as journal papers, conference proceedings and textbooks, but the paper based manuscripts personally written by the veteran doctors are usually neglected. In this paper, we established a database for Dr Situ Ling, who is a deceased famous CM acupuncture master in southern China. The study objective is to discover the acupuncture point selection patterns which require profession knowledge and experience from senior CM doctors. It is believed these patterns are deposited as underlying knowledge with various middle level concepts that can be analyzed and discover by a serial of algorithms. Thus in this work, we formularized the patterns of acupuncture point selection as a learning task with deep architecture, which attempts to capture either existent or underlying concepts so as to simulate the planning process of the combined diagnosis of western medicine and Chinese medicine. The Restricted Boltzmann Machines (RBM) was used as the main model for deep learning to process to medical record data with international standard diagnosis (ICD-10) previously made by trained doctors. Then the ICD-10 based diagnosis dataset was introduced into our framework to enhance the concepts diversity. After applying this model, the learning accuracy based on the medical record database of Dr Situ Ling was raised up to 75%. Thus this model can serve as a solution to discover the acupuncture point selection patterns of CM acupuncture veteran doctors. Furthermore, the data mining study model linked by international diagnosis standard (i.e. ICD-10), point selection patterns, and clinical symptoms will provide useful cues to reveal the essence of Zheng diagnosis through experience of CM veteran doctors.
中医老将临床经验的传承,在历史上对中医的发展和疗效的提高起着至关重要的作用。临床经验分为疾病诊断模式与中医正诊模式、正核心要素的辨析、中药方剂、正与病的治疗经验与关系、实际诊疗的共同规律。经验的来源主要来自文献和CM大师的手稿,这些文献和手稿在过去二十年中被电子记录下来。因此,通过资深中医医生的经验,将数据挖掘应用于知识发现是可行的。然而,目前对这一领域的关注仅限于期刊论文、会议论文集和教科书等已发表的文献,而对老医生亲自撰写的论文稿件往往被忽视。本文建立了中国南方著名中医针灸大师司徒凌博士的数据库。本研究的目的是发现老年中医医师需要专业知识和经验的穴位选择模式。人们相信,这些模式是作为底层知识储存起来的,其中包含各种中层概念,可以通过一系列算法进行分析和发现。因此,在本研究中,我们将穴位选择模式公式化为一个具有深层架构的学习任务,试图捕捉存在的或潜在的概念,从而模拟中西医结合诊断的规划过程。使用受限玻尔兹曼机(Restricted Boltzmann Machines, RBM)作为深度学习的主要模型,对经过训练的医生先前做出的具有国际标准诊断(ICD-10)的病历数据进行处理。然后将基于ICD-10的诊断数据集引入到我们的框架中,以增强概念的多样性。应用该模型后,基于司徒凌医生病案数据库的学习准确率提高到75%。因此,该模型可以作为一种解决方案,发现中医针灸老医生的穴位选择模式。结合国际诊断标准(即ICD-10)的数据挖掘研究模型、点选模式和临床症状,将为中医老将的经验揭示郑氏诊断的本质提供有用的线索。
{"title":"Deep learning for acupuncture point selection patterns based on veteran doctor experience of Chinese medicine","authors":"Zhaohui Liang, Gang Zhang, Ziping Li, Jian Yin, W. Fu","doi":"10.1109/BIBMW.2012.6470346","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470346","url":null,"abstract":"The inheritance of clinical experience of veteran doctors of Chinese medicine (CM) plays a key role in the development and effectiveness enhancement of Chinese medicine in the history. The clinical experience are classified as the patterns of disease diagnosis and Chinese medical Zheng diagnosis, the identification of core elements of Zheng, the treatment experience and relation of herbal medicine formulae, Zheng and disease, and the common law of diagnosis and treatment in real practice. The source of the experience mainly originates from literature and manuscripts of CM masters, which are being electronically recorded during the last two decades. As a result, it makes feasible to apply data mining to the knowledge discovery through the experience of veteran CM doctors. However, the current focus on this field is limited to the published literature such as journal papers, conference proceedings and textbooks, but the paper based manuscripts personally written by the veteran doctors are usually neglected. In this paper, we established a database for Dr Situ Ling, who is a deceased famous CM acupuncture master in southern China. The study objective is to discover the acupuncture point selection patterns which require profession knowledge and experience from senior CM doctors. It is believed these patterns are deposited as underlying knowledge with various middle level concepts that can be analyzed and discover by a serial of algorithms. Thus in this work, we formularized the patterns of acupuncture point selection as a learning task with deep architecture, which attempts to capture either existent or underlying concepts so as to simulate the planning process of the combined diagnosis of western medicine and Chinese medicine. The Restricted Boltzmann Machines (RBM) was used as the main model for deep learning to process to medical record data with international standard diagnosis (ICD-10) previously made by trained doctors. Then the ICD-10 based diagnosis dataset was introduced into our framework to enhance the concepts diversity. After applying this model, the learning accuracy based on the medical record database of Dr Situ Ling was raised up to 75%. Thus this model can serve as a solution to discover the acupuncture point selection patterns of CM acupuncture veteran doctors. Furthermore, the data mining study model linked by international diagnosis standard (i.e. ICD-10), point selection patterns, and clinical symptoms will provide useful cues to reveal the essence of Zheng diagnosis through experience of CM veteran doctors.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88724394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Research on optimal Traditional Chinese Medicine treatment of knee ostarthritis with data mining algorithms 基于数据挖掘算法的膝性骨关节炎中医优化治疗研究
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470349
D. Guo, Jian Li, Gang Zhang, Weixiang Lu, Shaojian Xu, Jun Liu
At present, more and more patients suffering from knee OA (Ostarthritis) are treated with complementary and alternative medicine, such as herbal drugs, herbal patches, acupuncture and manipulation etc, as an effective therapy. However, traditional statistical methods data gathered from randomized controlled trials (RCT) which were considered as the golden standard for therapy effectiveness failed to confirm those therapies efficacy. Whether we can accurately predict these therapeutic effects on the basis of a prospective, five-center, parallel-group, randomized controlled trial by means of other innovative ways is the question. According to this question, our team adopted several commonly used data mining algorithms to study it, such as KNN (k-Nearest Neighbor algorithm), j48 (decision tree), ANN (Artificial Neural Network). By means of modeling analysis of the patients' Traditional Chinese Medicine (TCM) symptoms questionnaire, Western Ontario and McMaster Universities Index of OA (WOMAC) total score and SF-36 assessment to predict the therapeutic effect which a patient can achieve after adopting one of those TCM therapies. Then we comprehensively analysed the effect and characteristic of every therapy schedule.
目前,越来越多的膝关节OA (Ostarthritis)患者采用补充和替代药物治疗,如中药、中药贴片、针灸和手法等,作为一种有效的治疗方法。然而,传统的统计学方法收集的随机对照试验(RCT)数据被认为是治疗效果的黄金标准,无法证实这些治疗的疗效。我们能否在前瞻性、五中心、平行组、随机对照试验的基础上,通过其他创新方法准确预测这些治疗效果是一个问题。针对这个问题,我们团队采用了几种常用的数据挖掘算法进行研究,如KNN (k-Nearest Neighbor algorithm)、j48 (decision tree)、ANN (Artificial Neural Network)。通过对患者中医症状问卷、西安大略和麦克马斯特大学OA指数(WOMAC)总分和SF-36评分进行建模分析,预测患者采用其中一种中医疗法后所能达到的治疗效果。综合分析了各种治疗方案的效果和特点。
{"title":"Research on optimal Traditional Chinese Medicine treatment of knee ostarthritis with data mining algorithms","authors":"D. Guo, Jian Li, Gang Zhang, Weixiang Lu, Shaojian Xu, Jun Liu","doi":"10.1109/BIBMW.2012.6470349","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470349","url":null,"abstract":"At present, more and more patients suffering from knee OA (Ostarthritis) are treated with complementary and alternative medicine, such as herbal drugs, herbal patches, acupuncture and manipulation etc, as an effective therapy. However, traditional statistical methods data gathered from randomized controlled trials (RCT) which were considered as the golden standard for therapy effectiveness failed to confirm those therapies efficacy. Whether we can accurately predict these therapeutic effects on the basis of a prospective, five-center, parallel-group, randomized controlled trial by means of other innovative ways is the question. According to this question, our team adopted several commonly used data mining algorithms to study it, such as KNN (k-Nearest Neighbor algorithm), j48 (decision tree), ANN (Artificial Neural Network). By means of modeling analysis of the patients' Traditional Chinese Medicine (TCM) symptoms questionnaire, Western Ontario and McMaster Universities Index of OA (WOMAC) total score and SF-36 assessment to predict the therapeutic effect which a patient can achieve after adopting one of those TCM therapies. Then we comprehensively analysed the effect and characteristic of every therapy schedule.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81291222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Physico-chemical features for recognition of antimicrobial peptides 抗菌肽识别的理化特征
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470274
Daniel Veltri, Amarda Shehu
Concerns over antibacterial resistance have antimicrobial peptides (AMPs) garnering attention as potential targets for new antibacterial drugs [1]. Wet-lab development of AMP-based drugs hinge on understanding the relationship between AMP sequence and activity [1]. In support of such efforts, we devise a method to highlight position-based physico-chemical features related to activity. We do so in a focused analysis of the mature peptide fragments of cathelicidins; a populous sequence-diverse family of well-studied a-helical AMPs [1]. We employ features based on the AAIndex [2], an extensive collection of documented physico-chemical amino acid properties, and Support Vector Machine (SVM) to recognize cathelicidins from a set of carefully designed decoy sequences. Our results demonstrate that these features are very useful in elucidating specific residue positions and properties related to AMP activity.
对抗菌药物耐药性的担忧使得抗菌肽(antimicrobial peptides, AMPs)作为新型抗菌药物的潜在靶点受到关注[1]。基于AMP的药物的湿实验室开发取决于了解AMP序列与活性之间的关系[1]。为了支持这种努力,我们设计了一种方法来突出与活动相关的基于位置的物理化学特征。我们这样做的重点分析成熟肽片段的cathelicidins;大量序列多样的a-螺旋amp家族[1]。我们采用基于aindex[2]的特征,广泛收集记录的物理化学氨基酸特性,以及支持向量机(SVM)从一组精心设计的诱饵序列中识别抗菌肽。我们的研究结果表明,这些特征在阐明与AMP活性相关的特定残基位置和性质方面非常有用。
{"title":"Physico-chemical features for recognition of antimicrobial peptides","authors":"Daniel Veltri, Amarda Shehu","doi":"10.1109/BIBMW.2012.6470274","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470274","url":null,"abstract":"Concerns over antibacterial resistance have antimicrobial peptides (AMPs) garnering attention as potential targets for new antibacterial drugs [1]. Wet-lab development of AMP-based drugs hinge on understanding the relationship between AMP sequence and activity [1]. In support of such efforts, we devise a method to highlight position-based physico-chemical features related to activity. We do so in a focused analysis of the mature peptide fragments of cathelicidins; a populous sequence-diverse family of well-studied a-helical AMPs [1]. We employ features based on the AAIndex [2], an extensive collection of documented physico-chemical amino acid properties, and Support Vector Machine (SVM) to recognize cathelicidins from a set of carefully designed decoy sequences. Our results demonstrate that these features are very useful in elucidating specific residue positions and properties related to AMP activity.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84664837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Protein secondary structure prediction using support vector machines and a codon encoding scheme 基于支持向量机和密码子编码方案的蛋白质二级结构预测
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470326
Masood Zamani, S. C. Kremer
In this study, we evaluate the performance of a protein secondary structure prediction model using a new amino acid "codon" encoding inspired by genetic codon mappings. The dimensionality of the binary codon encoding is less than that of an orthogonal encoding which requires less computations. Protein secondary structure prediction is an important step for machine learning techniques ultimately applied for protein 3D structure prediction. In the proposed model, one-stage binary support vector machines are employed, and the efficiency of the codon encoding to that of a commonly used orthogonal encoding are compared without incorporating protein evolutionary and structural information for an unbiased comparison. The performance of the classification model is measured according to Q3 and segment overlap (SOV) scores. The scores are compared with those of the prediction methods using an orthogonal encoding and protein sequence profiles. The experimental results indicate higher prediction accuracy based on Q3 SOV scores when sequence profiles are not used. Also, the relative classification scores of the proposed method are comparable with the methods incorporating protein global and evolutionary information. The experimental result implies the encoding scheme is able to integrate the evolutionary information into the prediction model since the encoding is based on genetic codon mappings which are the building blocks of amino acid formations at the primary level of biological processes. The codon encoding is worthwhile to be investigated using more complex learning architectures with the profiles and structural properties of proteins.
在这项研究中,我们利用受遗传密码子映射启发的新的氨基酸“密码子”编码来评估蛋白质二级结构预测模型的性能。二进制密码子编码的维数比需要较少计算量的正交编码要少。蛋白质二级结构预测是机器学习技术最终应用于蛋白质三维结构预测的重要一步。该模型采用单阶段二值支持向量机,在不考虑蛋白质进化和结构信息的情况下,将密码子编码效率与常用的正交编码效率进行了比较。根据Q3和部分重叠(SOV)分数来衡量分类模型的性能。并与采用正交编码和蛋白质序列谱的预测方法进行了比较。实验结果表明,当不使用序列剖面时,基于Q3 SOV分数的预测精度更高。此外,该方法的相对分类分数与结合蛋白质全局信息和进化信息的方法具有可比性。实验结果表明,该编码方案基于遗传密码子映射,能够将进化信息整合到预测模型中,而遗传密码子映射是生物过程初级水平氨基酸形成的基石。密码子编码是值得研究的,使用更复杂的学习架构与蛋白质的概况和结构特性。
{"title":"Protein secondary structure prediction using support vector machines and a codon encoding scheme","authors":"Masood Zamani, S. C. Kremer","doi":"10.1109/BIBMW.2012.6470326","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470326","url":null,"abstract":"In this study, we evaluate the performance of a protein secondary structure prediction model using a new amino acid \"codon\" encoding inspired by genetic codon mappings. The dimensionality of the binary codon encoding is less than that of an orthogonal encoding which requires less computations. Protein secondary structure prediction is an important step for machine learning techniques ultimately applied for protein 3D structure prediction. In the proposed model, one-stage binary support vector machines are employed, and the efficiency of the codon encoding to that of a commonly used orthogonal encoding are compared without incorporating protein evolutionary and structural information for an unbiased comparison. The performance of the classification model is measured according to Q3 and segment overlap (SOV) scores. The scores are compared with those of the prediction methods using an orthogonal encoding and protein sequence profiles. The experimental results indicate higher prediction accuracy based on Q3 SOV scores when sequence profiles are not used. Also, the relative classification scores of the proposed method are comparable with the methods incorporating protein global and evolutionary information. The experimental result implies the encoding scheme is able to integrate the evolutionary information into the prediction model since the encoding is based on genetic codon mappings which are the building blocks of amino acid formations at the primary level of biological processes. The codon encoding is worthwhile to be investigated using more complex learning architectures with the profiles and structural properties of proteins.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90592923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
A population-based evolutionary algorithm for sampling minima in the protein energy surface 基于种群的蛋白质能量面最小采样进化算法
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470207
Sameh Saleh, Brian S. Olson, Amarda Shehu
Obtaining a structural characterization of the biologically active (native) state of a protein is a long standing problem in computational biology. The high dimensionality of the conformational space and ruggedness of the associated energy surface are key challenges to algorithms in search of an ensemble of low-energy decoy conformations relevant for the native state. As the native structure does not often correspond to the global minimum energy, diversity is key. We present a memetic evolutionary algorithm to sample a diverse ensemble of conformations that represent low-energy local minima in the protein energy surface. Conformations in the algorithm are members of an evolving population. The molecular fragment replacement technique is employed to obtain children from parent conformations. A greedy search maps a child conformation to its nearest local minimum. Resulting minima and parent conformations are merged and truncated back to the initial population size based on potential energies. Results show that the additional minimization is key to obtaining a diverse ensemble of decoys, circumvent premature convergence to sub-optimal regions in the conformational space, and approach the native structure with IRMSDs comparable to state-of-the-art decoy sampling methods.
获得蛋白质的生物活性(天然)状态的结构表征是计算生物学中长期存在的问题。构象空间的高维性和相关能量面的坚固性是搜索与自然状态相关的低能诱饵构象集合的算法面临的关键挑战。由于原生结构往往不符合全局最小能量,多样性是关键。我们提出了一种模因进化算法来采样不同的构象集合,这些构象代表蛋白质能量表面的低能局部最小值。算法中的构象是不断进化的种群中的成员。采用分子片段置换技术从母体构象中获得子代。贪婪搜索将子构象映射到它最近的局部最小值。由此产生的最小构象和母构象被合并并截断回基于势能的初始种群大小。结果表明,额外的最小化是获得多样化诱饵集合的关键,避免过早收敛到构象空间的次优区域,并使用可与最先进的诱饵采样方法相比较的irmsd接近天然结构。
{"title":"A population-based evolutionary algorithm for sampling minima in the protein energy surface","authors":"Sameh Saleh, Brian S. Olson, Amarda Shehu","doi":"10.1109/BIBMW.2012.6470207","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470207","url":null,"abstract":"Obtaining a structural characterization of the biologically active (native) state of a protein is a long standing problem in computational biology. The high dimensionality of the conformational space and ruggedness of the associated energy surface are key challenges to algorithms in search of an ensemble of low-energy decoy conformations relevant for the native state. As the native structure does not often correspond to the global minimum energy, diversity is key. We present a memetic evolutionary algorithm to sample a diverse ensemble of conformations that represent low-energy local minima in the protein energy surface. Conformations in the algorithm are members of an evolving population. The molecular fragment replacement technique is employed to obtain children from parent conformations. A greedy search maps a child conformation to its nearest local minimum. Resulting minima and parent conformations are merged and truncated back to the initial population size based on potential energies. Results show that the additional minimization is key to obtaining a diverse ensemble of decoys, circumvent premature convergence to sub-optimal regions in the conformational space, and approach the native structure with IRMSDs comparable to state-of-the-art decoy sampling methods.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89416358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Predictive modeling of nanomaterial biological effects 纳米材料生物效应的预测建模
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470254
Xiong Liu, Kaizhi Tang, S. Harper, B. Harper, J. Steevens, R. Xu
Nanomaterial environmental impact (NEI) modeling is critical for industry and policymakers to assess the unintended biological effects (e.g. mortality, malformation, growth inhibition) resulting from the application of engineered nanomaterials. The scope of NEI modeling covers nanomaterial physical, chemical and manufacturing properties, exposure and study scenarios, environmental and ecosystem responses, biological responses, and their interactions. In this paper, we introduce a data mining approach to modeling the biological effects of nanomaterials. Data mining techniques can assist analysts in developing risk assessment models for nanomaterials. Using an experimental dataset on the toxicity of nanomaterials to embryonic zebrafish, we conducted case studies on modeling the overall effect/impact of nanomaterials and the specific toxic end-points such as mortality, delayed development, and morpholigcal malformations and behavioral abnormalities. The results show that different biological effects have different modeling accuracy given the same set of algorithms and data. The results also show that the weighting scheme for different biological effects has a significant influence on modeling the overall biological effect. These results provide insights into the understanding and modeling of nanomaterial biological effects.
纳米材料环境影响(NEI)建模对于工业和政策制定者评估工程纳米材料应用产生的意外生物效应(如死亡率、畸形、生长抑制)至关重要。NEI建模的范围涵盖纳米材料的物理、化学和制造特性、暴露和研究场景、环境和生态系统反应、生物反应及其相互作用。在本文中,我们介绍了一种数据挖掘方法来模拟纳米材料的生物效应。数据挖掘技术可以帮助分析人员开发纳米材料的风险评估模型。利用纳米材料对胚胎斑马鱼毒性的实验数据集,我们进行了案例研究,以模拟纳米材料的总体效应/影响以及特定的毒性终点,如死亡、发育迟缓、形态畸形和行为异常。结果表明,在相同的算法和数据下,不同的生物效应具有不同的建模精度。结果还表明,不同生物效应的权重方案对整体生物效应的建模有显著影响。这些结果为纳米材料生物效应的理解和建模提供了见解。
{"title":"Predictive modeling of nanomaterial biological effects","authors":"Xiong Liu, Kaizhi Tang, S. Harper, B. Harper, J. Steevens, R. Xu","doi":"10.1109/BIBMW.2012.6470254","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470254","url":null,"abstract":"Nanomaterial environmental impact (NEI) modeling is critical for industry and policymakers to assess the unintended biological effects (e.g. mortality, malformation, growth inhibition) resulting from the application of engineered nanomaterials. The scope of NEI modeling covers nanomaterial physical, chemical and manufacturing properties, exposure and study scenarios, environmental and ecosystem responses, biological responses, and their interactions. In this paper, we introduce a data mining approach to modeling the biological effects of nanomaterials. Data mining techniques can assist analysts in developing risk assessment models for nanomaterials. Using an experimental dataset on the toxicity of nanomaterials to embryonic zebrafish, we conducted case studies on modeling the overall effect/impact of nanomaterials and the specific toxic end-points such as mortality, delayed development, and morpholigcal malformations and behavioral abnormalities. The results show that different biological effects have different modeling accuracy given the same set of algorithms and data. The results also show that the weighting scheme for different biological effects has a significant influence on modeling the overall biological effect. These results provide insights into the understanding and modeling of nanomaterial biological effects.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84102087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
SMARTSync: Towards patient-driven medication reconciliation SMARTSync:迈向以患者为导向的药物和解
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470243
Timoteus B. Ziminski, A. D. L. R. Algarin, R. Saripalle, S. Demurjian, E. Jackson
Interactions between prescription medications, over-the-counter drugs, and nutritional supplements can have negative consequences for patients. There is a need for the reconciliation across this spectrum spurred on by the adoption of electronic medical records by healthcare providers and the usage of personal health records by patients. In such a setting, unifying information from multiple sources through automated reconciliation can address adverse medication interactions, track adverse medication reactions, and avoid overmedication. This requires mitigating the integration issues of multiple data sources and systems. In this paper, we leverage Harvard University's SMART framework to perform medication reconciliation across different data sources, with the long-term goal of providing robust decision support for overmedication and adverse interactions. Our prototype application SMARTSync provides ontology-backed recognition of interactions, decision support, and is able to warn a patient (or notify a provider) of potential medication problems.
处方药、非处方药和营养补充剂之间的相互作用会对患者产生负面影响。由于医疗保健提供者采用电子医疗记录和患者使用个人健康记录,有必要在这一范围内进行协调。在这种情况下,通过自动协调统一来自多个来源的信息可以解决药物不良反应,跟踪药物不良反应,并避免过度用药。这需要减轻多个数据源和系统的集成问题。在本文中,我们利用哈佛大学的SMART框架跨不同数据源执行药物调节,其长期目标是为过度用药和不良相互作用提供强大的决策支持。我们的原型应用SMARTSync提供了基于本体的交互识别、决策支持,并能够警告患者(或通知提供商)潜在的药物问题。
{"title":"SMARTSync: Towards patient-driven medication reconciliation","authors":"Timoteus B. Ziminski, A. D. L. R. Algarin, R. Saripalle, S. Demurjian, E. Jackson","doi":"10.1109/BIBMW.2012.6470243","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470243","url":null,"abstract":"Interactions between prescription medications, over-the-counter drugs, and nutritional supplements can have negative consequences for patients. There is a need for the reconciliation across this spectrum spurred on by the adoption of electronic medical records by healthcare providers and the usage of personal health records by patients. In such a setting, unifying information from multiple sources through automated reconciliation can address adverse medication interactions, track adverse medication reactions, and avoid overmedication. This requires mitigating the integration issues of multiple data sources and systems. In this paper, we leverage Harvard University's SMART framework to perform medication reconciliation across different data sources, with the long-term goal of providing robust decision support for overmedication and adverse interactions. Our prototype application SMARTSync provides ontology-backed recognition of interactions, decision support, and is able to warn a patient (or notify a provider) of potential medication problems.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86853865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Clinical curative effect of needle scalpel for traumatic ankylosis 针刀治疗外伤性强直的临床疗效
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470355
Benjie Qi, Qingfeng Luo, Mingzhi Wan
With needle scalpel, we have treated 145 cases of traumatic ankylosis, including 35 cases of knees, 32 cases of ankles, 38 cases of shoulders, 40 cases of elbows. And we find the treatment is easy to operate, with few side effects, but significant effect.
运用针刀治疗外伤性强直145例,其中膝关节35例,踝关节32例,肩部38例,肘部40例。结果表明,该方法操作简便,副作用少,效果显著。
{"title":"Clinical curative effect of needle scalpel for traumatic ankylosis","authors":"Benjie Qi, Qingfeng Luo, Mingzhi Wan","doi":"10.1109/BIBMW.2012.6470355","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470355","url":null,"abstract":"With needle scalpel, we have treated 145 cases of traumatic ankylosis, including 35 cases of knees, 32 cases of ankles, 38 cases of shoulders, 40 cases of elbows. And we find the treatment is easy to operate, with few side effects, but significant effect.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85582969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discussion on the improvement of the arteriovenous fistula surgeon's micrological technique 动静脉瘘外科医生显微技术改进的探讨
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470336
K. Bao, Han-guo Peng, P. Su
Arteriovenous fistula (AVF) is so important to hemodialysis patients that it is called their lifeline. In modern society, it is particularly urgent to improve AVF surgeon's micrological technique as patients' vascular condition tending to deteriorate because of increasing population aging and prevalence of hypertension and diabetes. So this paper is made to discuss how to improve the AVF surgeon's micrological technique from the following three aspects: enhancing the capability of hand movement control, establishing the concept of main-secondary hand and surgery airspace.
动静脉瘘(AVF)对血液透析患者非常重要,被称为他们的生命线。在现代社会,随着人口老龄化的加剧和高血压、糖尿病的流行,患者血管状况趋于恶化,提高AVF外科医生的显微技术显得尤为迫切。为此,本文从提高手的运动控制能力、树立主-副手的概念和手术空域三个方面探讨如何提高AVF外科医生的显微技术。
{"title":"Discussion on the improvement of the arteriovenous fistula surgeon's micrological technique","authors":"K. Bao, Han-guo Peng, P. Su","doi":"10.1109/BIBMW.2012.6470336","DOIUrl":"https://doi.org/10.1109/BIBMW.2012.6470336","url":null,"abstract":"Arteriovenous fistula (AVF) is so important to hemodialysis patients that it is called their lifeline. In modern society, it is particularly urgent to improve AVF surgeon's micrological technique as patients' vascular condition tending to deteriorate because of increasing population aging and prevalence of hypertension and diabetes. So this paper is made to discuss how to improve the AVF surgeon's micrological technique from the following three aspects: enhancing the capability of hand movement control, establishing the concept of main-secondary hand and surgery airspace.","PeriodicalId":6392,"journal":{"name":"2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2012-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80295709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1