Search results for: graph similarity
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1090

Search results for: graph similarity

1000 Analytical Similarity Assessment of Bevacizumab Biosimilar Candidate MB02 Using Multiple State-of-the-Art Assays

Authors: Marie-Elise Beydon, Daniel Sacristan, Isabel Ruppen

Abstract:

MB02 (Alymsys®) is a candidate biosimilar to bevacizumab, which was developed against the reference product (RP) Avastin® sourced from both the European Union (EU) and United States (US). MB02 has been extensively characterized comparatively to Avastin® at a physicochemical and biological level using sensitive orthogonal state-of-the-art analytical methods. MB02 has been demonstrated similar to the RP with regard to its primary and higher-order structure, post- and co-translational profiles such as glycosylation, charge, and size variants. Specific focus has been put on the characterization of Fab-related activities, such as binding to VEGF A 165, which directly reflect the bevacizumab mechanism of action. Fc-related functionality was also investigated, including binding to FcRn, which is indicative of antibodies' half-life. The data generated during the analytical similarity assessment demonstrate the high analytical similarity of MB02 to its RP.

Keywords: analytical similarity, bevacizumab, biosimilar, MB02

Procedia PDF Downloads 276
999 Neighborhood Graph-Optimized Preserving Discriminant Analysis for Image Feature Extraction

Authors: Xiaoheng Tan, Xianfang Li, Tan Guo, Yuchuan Liu, Zhijun Yang, Hongye Li, Kai Fu, Yufang Wu, Heling Gong

Abstract:

The image data collected in reality often have high dimensions, and it contains noise and redundant information. Therefore, it is necessary to extract the compact feature expression of the original perceived image. In this process, effective use of prior knowledge such as data structure distribution and sample label is the key to enhance image feature discrimination and robustness. Based on the above considerations, this paper proposes a local preserving discriminant feature learning model based on graph optimization. The model has the following characteristics: (1) Locality preserving constraint can effectively excavate and preserve the local structural relationship between data. (2) The flexibility of graph learning can be improved by constructing a new local geometric structure graph using label information and the nearest neighbor threshold. (3) The L₂,₁ norm is used to redefine LDA, and the diagonal matrix is introduced as the scale factor of LDA, and the samples are selected, which improves the robustness of feature learning. The validity and robustness of the proposed algorithm are verified by experiments in two public image datasets.

Keywords: feature extraction, graph optimization local preserving projection, linear discriminant analysis, L₂, ₁ norm

Procedia PDF Downloads 145
998 A Word-to-Vector Formulation for Word Representation

Authors: Sandra Rizkallah, Amir F. Atiya

Abstract:

This work presents a novel word to vector representation that is based on embedding the words into a sphere, whereby the dot product of the corresponding vectors represents the similarity between any two words. Embedding the vectors into a sphere enabled us to take into consideration the antonymity between words, not only the synonymity, because of the suitability to handle the polarity nature of words. For example, a word and its antonym can be represented as a vector and its negative. Moreover, we have managed to extract an adequate vocabulary. The obtained results show that the proposed approach can capture the essence of the language, and can be generalized to estimate a correct similarity of any new pair of words.

Keywords: natural language processing, word to vector, text similarity, text mining

Procedia PDF Downloads 265
997 GraphNPP: A Graphormer-Based Architecture for Network Performance Prediction in Software-Defined Networking

Authors: Hanlin Liu, Hua Li, Yintan AI

Abstract:

Network performance prediction (NPP) is essential for the management and optimization of software-defined networking (SDN) and contributes to improving the quality of service (QoS) in SDN to meet the requirements of users. Although current deep learning-based methods can achieve high effectiveness, they still suffer from some problems, such as difficulty in capturing global information of the network, inefficiency in modeling end-to-end network performance, and inadequate graph feature extraction. To cope with these issues, our proposed Graphormer-based architecture for NPP leverages the powerful graph representation ability of Graphormer to effectively model the graph structure data, and a node-edge transformation algorithm is designed to transfer the feature extraction object from nodes to edges, thereby effectively extracting the end-to-end performance characteristics of the network. Moreover, routing oriented centrality measure coefficient for nodes and edges is proposed respectively to assess their importance and influence within the graph. Based on this coefficient, an enhanced feature extraction method and an advanced centrality encoding strategy are derived to fully extract the structural information of the graph. Experimental results on three public datasets demonstrate that the proposed GraphNPP architecture can achieve state-of-the-art results compared to current NPP methods.

Keywords: software-defined networking, network performance prediction, Graphormer, graph neural network

Procedia PDF Downloads 35
996 BodeACD: Buffer Overflow Vulnerabilities Detecting Based on Abstract Syntax Tree, Control Flow Graph, and Data Dependency Graph

Authors: Xinghang Lv, Tao Peng, Jia Chen, Junping Liu, Xinrong Hu, Ruhan He, Minghua Jiang, Wenli Cao

Abstract:

As one of the most dangerous vulnerabilities, effective detection of buffer overflow vulnerabilities is extremely necessary. Traditional detection methods are not accurate enough and consume more resources to meet complex and enormous code environment at present. In order to resolve the above problems, we propose the method for Buffer overflow detection based on Abstract syntax tree, Control flow graph, and Data dependency graph (BodeACD) in C/C++ programs with source code. Firstly, BodeACD constructs the function samples of buffer overflow that are available on Github, then represents them as code representation sequences, which fuse control flow, data dependency, and syntax structure of source code to reduce information loss during code representation. Finally, BodeACD learns vulnerability patterns for vulnerability detection through deep learning. The results of the experiments show that BodeACD has increased the precision and recall by 6.3% and 8.5% respectively compared with the latest methods, which can effectively improve vulnerability detection and reduce False-positive rate and False-negative rate.

Keywords: vulnerability detection, abstract syntax tree, control flow graph, data dependency graph, code representation, deep learning

Procedia PDF Downloads 163
995 Language Development and Growing Spanning Trees in Children Semantic Network

Authors: Somayeh Sadat Hashemi Kamangar, Fatemeh Bakouie, Shahriar Gharibzadeh

Abstract:

In this study, we target to exploit Maximum Spanning Trees (MST) of children's semantic networks to investigate their language development. To do so, we examine the graph-theoretic properties of word-embedding networks. The networks are made of words children learn prior to the age of 30 months as the nodes and the links which are built from the cosine vector similarity of words normatively acquired by children prior to two and a half years of age. These networks are weighted graphs and the strength of each link is determined by the numerical similarities of the two words (nodes) on the sides of the link. To avoid changing the weighted networks to the binaries by setting a threshold, constructing MSTs might present a solution. MST is a unique sub-graph that connects all the nodes in such a way that the sum of all the link weights is maximized without forming cycles. MSTs as the backbone of the semantic networks are suitable to examine developmental changes in semantic network topology in children. From these trees, several parameters were calculated to characterize the developmental change in network organization. We showed that MSTs provides an elegant method sensitive to capture subtle developmental changes in semantic network organization.

Keywords: maximum spanning trees, word-embedding, semantic networks, language development

Procedia PDF Downloads 137
994 The Vertex Degree Distance of One Vertex Union of the Cycle and the Star

Authors: Ying Wang, Haiyan Xie, Aoming Zhang

Abstract:

The degree distance of a graph is a graph invariant that is more sensitive than the Wiener index. In this paper, we calculate the vertex degree distances of one vertex union of the cycle and the star, and the degree distance of one vertex union of the cycle and the star. These results lay a foundation for further study on the extreme value of the vertex degree distances, and the distribution of the vertices with the extreme value in one vertex union of the cycle and the star.

Keywords: degree distance, vertex-degree-distance, one vertex union of a cycle and a star, graph

Procedia PDF Downloads 149
993 Minimum Vertices Dominating Set Algorithm for Secret Sharing Scheme

Authors: N. M. G. Al-Saidi, K. A. Kadhim, N. A. Rajab

Abstract:

Over the past decades, computer networks and data communication system has been developing fast, so, the necessity to protect a transmitted data is a challenging issue, and data security becomes a serious problem nowadays. A secret sharing scheme is a method which allows a master key to be distributed among a finite set of participants, in such a way that only certain authorized subsets of participants to reconstruct the original master key. To create a secret sharing scheme, many mathematical structures have been used; the most widely used structure is the one that is based on graph theory (graph access structure). Subsequently, many researchers tried to find efficient schemes based on graph access structures. In this paper, we propose a novel efficient construction of a perfect secret sharing scheme for uniform access structure. The dominating set of vertices in a regular graph is used for this construction in the following way; each vertex represents a participant and each minimum independent dominating subset represents a minimal qualified subset. Some relations between dominating set, graph order and regularity are achieved, and can be used to demonstrate the possibility of using dominating set to construct a secret sharing scheme. The information rate that is used as a measure for the efficiency of such systems is calculated to show that the proposed method has some improved values.

Keywords: secret sharing scheme, dominating set, information rate, access structure, rank

Procedia PDF Downloads 389
992 Application of Directed Acyclic Graphs for Threat Identification Based on Ontologies

Authors: Arun Prabhakar

Abstract:

Threat modeling is an important activity carried out in the initial stages of the development lifecycle that helps in building proactive security measures in the product. Though there are many techniques and tools available today, one of the common challenges with the traditional methods is the lack of a systematic approach in identifying security threats. The proposed solution describes an organized model by defining ontologies that help in building patterns to enumerate threats. The concepts of graph theory are applied to build the pattern for discovering threats for any given scenario. This graph-based solution also brings in other benefits, making it a customizable and scalable model.

Keywords: directed acyclic graph, ontology, patterns, threat identification, threat modeling

Procedia PDF Downloads 134
991 Resume Ranking Using Custom Word2vec and Rule-Based Natural Language Processing Techniques

Authors: Subodh Chandra Shakya, Rajendra Sapkota, Aakash Tamang, Shushant Pudasaini, Sujan Adhikari, Sajjan Adhikari

Abstract:

Lots of efforts have been made in order to measure the semantic similarity between the text corpora in the documents. Techniques have been evolved to measure the similarity of two documents. One such state-of-art technique in the field of Natural Language Processing (NLP) is word to vector models, which converts the words into their word-embedding and measures the similarity between the vectors. We found this to be quite useful for the task of resume ranking. So, this research paper is the implementation of the word2vec model along with other Natural Language Processing techniques in order to rank the resumes for the particular job description so as to automate the process of hiring. The research paper proposes the system and the findings that were made during the process of building the system.

Keywords: chunking, document similarity, information extraction, natural language processing, word2vec, word embedding

Procedia PDF Downloads 152
990 Unsteady Similarity Solution for a Slender Dry Patch in a Thin Newtonian Fluid Film

Authors: S. S. Abas, Y. M. Yatim

Abstract:

In this paper the unsteady, slender, symmetric dry patch in an infinitely wide and thin liquid film of Newtonian fluid draining under gravity down an inclined plane in the presence of strong surface-tension effect is considered. A similarity transformation, named a travelling-wave similarity solution is used to reduce the governing partial differential equation into the ordinary differential equation which is then solved numerically using a shooting method. The introduction of surface-tension effect on the flow leads to a fourth-order ordinary differential equation. The solution obtained predicts that the dry patch has a quartic shape and the free surface has a capillary ridge near the contact line which decays in an oscillatory manner far from it.

Keywords: dry patch, Newtonian fluid, similarity solution, surface-tension effect, travelling-wave, unsteady thin-film flow

Procedia PDF Downloads 303
989 Aligning Cultural Practices through Information Exchange: A Taxonomy in Global Manufacturing Industry

Authors: Hung Nguyen

Abstract:

With the rise of global supply chain network, the choice of supply chain orientation is critical. The alignment between cultural similarity and supply chain information exchange could help identify appropriate supply chain orientations, which would differentiate the stronger competitors and performers from the weaker ones. Through developing a taxonomy, this study examined whether the choices of action programs and manufacturing performance differ depending on the levels of attainment cultural similarity and information exchange. This study employed statistical tests on a large-scale dataset consisting of 680 manufacturing plants from various cultures and industries. Firms need to align cultural practices with the level of information exchange in order to achieve good overall business performance. There appeared to be consistent three major orientations: the Proactive, the Initiative and the Reactive. Firms are experiencing higher payoffs from various improvements are the ones successful alignment in both information exchange and cultural similarity The findings provide step-by-step decision making for supply chain information exchange and offer guidance especially for global supply chain managers. In including both cultural similarity and information exchange, this paper adds greater comprehensiveness and richness to the supply chain literature.

Keywords: culture, information exchange, supply chain orientation, similarity

Procedia PDF Downloads 350
988 Network and Sentiment Analysis of U.S. Congressional Tweets

Authors: Chaitanya Kanakamedala, Hansa Pradhan, Carter Gilbert

Abstract:

Social media platforms, such as Twitter, are excellent datasets for understanding human interactions and sentiments. This report explores social dynamics among US Congressional members through a network analysis applied to a dataset of tweets spanning 2008 to 2017 from the ’US Congressional Tweets Dataset’. In this report, we preform network analysis where connections between users (edges) are established based on a similarity threshold: two tweets are connected if the tweets they post are similar. By utilizing the Natural Language Toolkit (NLTK) and NetworkX, we quantified tweet similarity and constructed a graph comprising various interconnected components. Each component represents a cluster of users with closely aligned content. We then preform sentiment analysis on each cluster to explore the prevalent emotions and opinions within these groups. Our findings reveal that despite the initial expectation of distinct ideological divisions typically aligning with party lines, the analysis exposed a high degree of topical convergence across tweets from different political affiliations. The analysis preformed in this report not only highlights the potential of social media as a tool for political communication but also suggests a complex layer of interaction that transcends traditional partisan boundaries, reflecting a complicated landscape of politics in the digital age.

Keywords: natural language processing, sentiment analysis, centrality analysis, topic modeling

Procedia PDF Downloads 17
987 Research on Knowledge Graph Inference Technology Based on Proximal Policy Optimization

Authors: Yihao Kuang, Bowen Ding

Abstract:

With the increasing scale and complexity of knowledge graph, modern knowledge graph contains more and more types of entity, relationship, and attribute information. Therefore, in recent years, it has been a trend for knowledge graph inference to use reinforcement learning to deal with large-scale, incomplete, and noisy knowledge graphs and improve the inference effect and interpretability. The Proximal Policy Optimization (PPO) algorithm utilizes a near-end strategy optimization approach. This allows for more extensive updates of policy parameters while constraining the update extent to maintain training stability. This characteristic enables PPOs to converge to improved strategies more rapidly, often demonstrating enhanced performance early in the training process. Furthermore, PPO has the advantage of offline learning, effectively utilizing historical experience data for training and enhancing sample utilization. This means that even with limited resources, PPOs can efficiently train for reinforcement learning tasks. Based on these characteristics, this paper aims to obtain a better and more efficient inference effect by introducing PPO into knowledge inference technology.

Keywords: reinforcement learning, PPO, knowledge inference

Procedia PDF Downloads 231
986 QoS-CBMG: A Model for e-Commerce Customer Behavior

Authors: Hoda Ghavamipoor, S. Alireza Hashemi Golpayegani

Abstract:

An approach to model the customer interaction with e-commerce websites is presented. Considering the service quality level as a predictive feature, we offer an improved method based on the Customer Behavior Model Graph (CBMG), a state-transition graph model. To derive the Quality of Service sensitive-CBMG (QoS-CBMG) model, process-mining techniques is applied to pre-processed website server logs which are categorized as ‘buy’ or ‘visit’. Experimental results on an e-commerce website data confirmed that the proposed method outperforms CBMG based method.

Keywords: customer behavior model, electronic commerce, quality of service, customer behavior model graph, process mining

Procedia PDF Downloads 407
985 The Problems of Current Earth Coordinate System for Earthquake Forecasting Using Single Layer Hierarchical Graph Neuron

Authors: Benny Benyamin Nasution, Rahmat Widia Sembiring, Abdul Rahman Dalimunthe, Nursiah Mustari, Nisfan Bahri, Berta br Ginting, Riadil Akhir Lubis, Rita Tavip Megawati, Indri Dithisari

Abstract:

The earth coordinate system is an important part of an attempt for earthquake forecasting, such as the one using Single Layer Hierarchical Graph Neuron (SLHGN). However, there are a number of problems that need to be worked out before the coordinate system can be utilized for the forecaster. One example of those is that SLHGN requires that the focused area of an earthquake must be constructed in a grid-like form. In fact, within the current earth coordinate system, the same longitude-difference would produce different distances. This can be observed at the distance on the Equator compared to distance at both poles. To deal with such a problem, a coordinate system has been developed, so that it can be used to support the ongoing earthquake forecasting using SLHGN. Two important issues have been developed in this system: 1) each location is not represented through two-value (longitude and latitude), but only a single value, 2) the conversion of the earth coordinate system to the x-y cartesian system requires no angular formulas, which is therefore fast. The accuracy and the performance have not been measured yet, since earthquake data is difficult to obtain. However, the characteristics of the SLHGN results show a very promising answer.

Keywords: hierarchical graph neuron, multidimensional hierarchical graph neuron, single layer hierarchical graph neuron, natural disaster forecasting, earthquake forecasting, earth coordinate system

Procedia PDF Downloads 213
984 GRCNN: Graph Recognition Convolutional Neural Network for Synthesizing Programs from Flow Charts

Authors: Lin Cheng, Zijiang Yang

Abstract:

Program synthesis is the task to automatically generate programs based on user specification. In this paper, we present a framework that synthesizes programs from flow charts that serve as accurate and intuitive specification. In order doing so, we propose a deep neural network called GRCNN that recognizes graph structure from its image. GRCNN is trained end-to-end, which can predict edge and node information of the flow chart simultaneously. Experiments show that the accuracy rate to synthesize a program is 66.4%, and the accuracy rates to recognize edge and node are 94.1% and 67.9%, respectively. On average, it takes about 60 milliseconds to synthesize a program.

Keywords: program synthesis, flow chart, specification, graph recognition, CNN

Procedia PDF Downloads 116
983 Mostar Type Indices and QSPR Analysis of Octane Isomers

Authors: B. Roopa Sri, Y Lakshmi Naidu

Abstract:

Chemical Graph Theory (CGT) is the branch of mathematical chemistry in which molecules are modeled to study their physicochemical properties using molecular descriptors. Amongst these descriptors, topological indices play a vital role in predicting the properties by defining the graph topology of the molecule. Recently, the bond-additive topological index known as the Mostar index has been proposed. In this paper, we compute the Mostar-type indices of octane isomers and use the data obtained to perform QSPR analysis. Furthermore, we show the correlation between the Mostar type indices and the properties.

Keywords: chemical graph theory, mostar type indices, octane isomers, qspr analysis, topological index

Procedia PDF Downloads 125
982 A Relational Case-Based Reasoning Framework for Project Delivery System Selection

Authors: Yang Cui, Yong Qiang Chen

Abstract:

An appropriate project delivery system (PDS) is crucial to the success of a construction project. Case-based reasoning (CBR) is a useful support for PDS selection. However, the traditional CBR approach represents cases as attribute-value vectors without taking relations among attributes into consideration, and could not calculate the similarity when the structures of cases are not strictly same. Therefore, this paper solves this problem by adopting the relational case-based reasoning (RCBR) approach for PDS selection, considering both the structural similarity and feature similarity. To develop the feature terms of the construction projects, the criteria and factors governing PDS selection process are first identified. Then, feature terms for the construction projects are developed. Finally, the mechanism of similarity calculation and a case study indicate how RCBR works for PDS selection. The adoption of RCBR in PDS selection expands the scope of application of traditional CBR method and improves the accuracy of the PDS selection system.

Keywords: relational cased-based reasoning, case-based reasoning, project delivery system, PDS selection

Procedia PDF Downloads 425
981 Integration of Fuzzy Logic in the Representation of Knowledge: Application in the Building Domain

Authors: Hafida Bouarfa, Mohamed Abed

Abstract:

The main object of our work is the development and the validation of a system indicated Fuzzy Vulnerability. Fuzzy Vulnerability uses a fuzzy representation in order to tolerate the imprecision during the description of construction. At the the second phase, we evaluated the similarity between the vulnerability of a new construction and those of the whole of the historical cases. This similarity is evaluated on two levels: 1) individual similarity: bases on the fuzzy techniques of aggregation; 2) Global similarity: uses the increasing monotonous linguistic quantifiers (RIM) to combine the various individual similarities between two constructions. The third phase of the process of Fuzzy Vulnerability consists in using vulnerabilities of historical constructions narrowly similar to current construction to deduce its estimate vulnerability. We validated our system by using 50 cases. We evaluated the performances of Fuzzy Vulnerability on the basis of two basic criteria, the precision of the estimates and the tolerance of the imprecision along the process of estimation. The comparison was done with estimates made by tiresome and long models. The results are satisfactory.

Keywords: case based reasoning, fuzzy logic, fuzzy case based reasoning, seismic vulnerability

Procedia PDF Downloads 289
980 Drug-Drug Interaction Prediction in Diabetes Mellitus

Authors: Rashini Maduka, C. R. Wijesinghe, A. R. Weerasinghe

Abstract:

Drug-drug interactions (DDIs) can happen when two or more drugs are taken together. Today DDIs have become a serious health issue due to adverse drug effects. In vivo and in vitro methods for identifying DDIs are time-consuming and costly. Therefore, in-silico-based approaches are preferred in DDI identification. Most machine learning models for DDI prediction are used chemical and biological drug properties as features. However, some drug features are not available and costly to extract. Therefore, it is better to make automatic feature engineering. Furthermore, people who have diabetes already suffer from other diseases and take more than one medicine together. Then adverse drug effects may happen to diabetic patients and cause unpleasant reactions in the body. In this study, we present a model with a graph convolutional autoencoder and a graph decoder using a dataset from DrugBank version 5.1.3. The main objective of the model is to identify unknown interactions between antidiabetic drugs and the drugs taken by diabetic patients for other diseases. We considered automatic feature engineering and used Known DDIs only as the input for the model. Our model has achieved 0.86 in AUC and 0.86 in AP.

Keywords: drug-drug interaction prediction, graph embedding, graph convolutional networks, adverse drug effects

Procedia PDF Downloads 95
979 Scheduling in Cloud Networks Using Chakoos Algorithm

Authors: Masoumeh Ali Pouri, Hamid Haj Seyyed Javadi

Abstract:

Nowadays, cloud processing is one of the important issues in information technology. Since scheduling of tasks graph is an NP-hard problem, considering approaches based on undeterminisitic methods such as evolutionary processing, mostly genetic and cuckoo algorithms, will be effective. Therefore, an efficient algorithm has been proposed for scheduling of tasks graph to obtain an appropriate scheduling with minimum time. In this algorithm, the new approach is based on making the length of the critical path shorter and reducing the cost of communication. Finally, the results obtained from the implementation of the presented method show that this algorithm acts the same as other algorithms when it faces graphs without communication cost. It performs quicker and better than some algorithms like DSC and MCP algorithms when it faces the graphs involving communication cost.

Keywords: cloud computing, scheduling, tasks graph, chakoos algorithm

Procedia PDF Downloads 56
978 Nonlinear Evolution on Graphs

Authors: Benniche Omar

Abstract:

We are concerned with abstract fully nonlinear differential equations having the form y’(t)=Ay(t)+f(t,y(t)) where A is an m—dissipative operator (possibly multi—valued) defined on a subset D(A) of a Banach space X with values in X and f is a given function defined on I×X with values in X. We consider a graph K in I×X. We recall that K is said to be viable with respect to the above abstract differential equation if for each initial data in K there exists at least one trajectory starting from that initial data and remaining in K at least for a short time. The viability problem has been studied by many authors by using various techniques and frames. If K is closed, it is shown that a tangency condition, which is mainly linked to the dynamic, is crucial for viability. In the case when X is infinite dimensional, compactness and convexity assumptions are needed. In this paper, we are concerned with the notion of near viability for a given graph K with respect to y’(t)=Ay(t)+f(t,y(t)). Roughly speaking, the graph K is said to be near viable with respect to y’(t)=Ay(t)+f(t,y(t)), if for each initial data in K there exists at least one trajectory remaining arbitrary close to K at least for short time. It is interesting to note that the near viability is equivalent to an appropriate tangency condition under mild assumptions on the dynamic. Adding natural convexity and compactness assumptions on the dynamic, we may recover the (exact) viability. Here we investigate near viability for a graph K in I×X with respect to y’(t)=Ay(t)+f(t,y(t)) where A and f are as above. We emphasis that the t—dependence on the perturbation f leads us to introduce a new tangency concept. In the base of a tangency conditions expressed in terms of that tangency concept, we formulate criteria for K to be near viable with respect to y’(t)=Ay(t)+f(t,y(t)). As application, an abstract null—controllability theorem is given.

Keywords: abstract differential equation, graph, tangency condition, viability

Procedia PDF Downloads 138
977 Similarity of the Disposition of the Electrostatic Potential of Tetrazole and Carboxylic Group to Investigate Their Bioisosteric Relationship

Authors: Alya A. Arabi

Abstract:

Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

Procedia PDF Downloads 426
976 Application of Metric Dimension of Graph in Unraveling the Complexity of Hyperacusis

Authors: Hassan Ibrahim

Abstract:

The prevalence of hyperacusis, an auditory condition characterized by heightened sensitivity to sounds, continues to rise, posing challenges for effective diagnosis and intervention. It is believed that this work deepens will deepens the understanding of hyperacusis etiology by employing graph theory as a novel analytical framework. We constructed a comprehensive graph wherein nodes represent various factors associated with hyperacusis, including aging, head or neck trauma, infection/virus, depression, migraines, ear infection, anxiety, and other potential contributors. Relationships between factors are modeled as edges, allowing us to visualize and quantify the interactions within the etiological landscape of hyperacusis. it employ the concept of the metric dimension of a connected graph to identify key nodes (landmarks) that serve as critical influencers in the interconnected web of hyperacusis causes. This approach offers a unique perspective on the relative importance and centrality of different factors, shedding light on the complex interplay between physiological, psychological, and environmental determinants. Visualization techniques were also employed to enhance the interpretation and facilitate the identification of the central nodes. This research contributes to the growing body of knowledge surrounding hyperacusis by offering a network-centric perspective on its multifaceted causes. The outcomes hold the potential to inform clinical practices, guiding healthcare professionals in prioritizing interventions and personalized treatment plans based on the identified landmarks within the etiological network. Through the integration of graph theory into hyperacusis research, the complexity of this auditory condition was unraveled and pave the way for more effective approaches to its management.

Keywords: auditory condition, connected graph, hyperacusis, metric dimension

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975 Genetic Diversity Analysis in Triticum Aestivum Using Microsatellite Markers

Authors: Prachi Sharma, Mukesh Kumar Rana

Abstract:

In the present study, the simple sequence repeat(SSR) markers have been used in analysis of genetic diversity of 37 genotypes of Triticum aestivum. The DNA was extracted using cTAB method. The DNA was quantified using the fluorimeter. The annealing temperatures for 27 primer pairs were standardized using gradient PCR, out of which 16 primers gave satisfactory amplification at temperature ranging from 50-62⁰ C. Out of 16 polymorphic SSR markers only 10 SSR primer pairs were used in the study generating 34 reproducible amplicons among 37 genotypes out of which 30 were polymorphic. Primer pairs Xgwm533, Xgwm 160, Xgwm 408, Xgwm 120, Xgwm 186, Xgwm 261 produced maximum percent of polymorphic bands (100%). The bands ranged on an average of 3.4 bands per primer. The genetic relationship was determined using Jaccard pair wise similarity co-efficient and UPGMA cluster analysis with NTSYS Pc.2 software. The values of similarity index range from 0-1. The similarity coefficient ranged from 0.13 to 0.97. A minimum genetic similarity (0.13) was observed between VL 804 and HPW 288, meaning they are only 13% similar. More number of available SSR markers can be useful for supporting the genetic diversity analysis in the above wheat genotypes.

Keywords: wheat, genetic diversity, microsatellite, polymorphism

Procedia PDF Downloads 603
974 Modeling and Simulation of a Cycloconverter with a Bond Graph Approach

Authors: Gerardo Ayala-Jaimes, Gilberto Gonzalez-Avalos, Allen A. Castillo, Alejandra Jimenez

Abstract:

The modeling of a single-phase cycloconverter in Bond Graph is presented, which includes an alternating current power supply, hybrid dynamics, switch control, and resistive load; this approach facilitates the integration of systems across different energy domains and structural analysis. Cycloconverters, used in motor control, demonstrate the viability of graphical modeling. The use of Bonds is proposed to model the hybrid interaction of the system, and the results are displayed through simulations using 20Sim and Multisim software. The motivation behind developing these models with a graphical approach is to design and build low-cost energy converters, thereby making the main contribution of this document the modeling and simulation of a single-phase cycloconverter.

Keywords: bond graph, hybrid system, rectifier, cycloconverter, modelling

Procedia PDF Downloads 28
973 Modeling of Bioelectric Activity of Nerve Cells Using Bond Graph Method

Authors: M. Ghasemi, F. Eskandari, B. Hamzehei, A. R. Arshi

Abstract:

Bioelectric activity of nervous cells might be changed causing by various factors. This alteration can lead to unforeseen circumstances in other organs of the body. Therefore, the purpose of this study was to model a single neuron and its behavior under an initial stimulation. This study was developed based on cable theory by means of the Bond Graph method. The numerical values of the parameters were derived from empirical studies of cellular electrophysiology experiments. Initial excitation was applied through square current functions, and the resulted action potential was estimated along the neuron. The results revealed that the model was developed in this research adapted with the results of experimental studies and demonstrated the electrical behavior of nervous cells properly.

Keywords: bond graph, stimulation, nervous cells, modeling

Procedia PDF Downloads 419
972 Robust Diagnosis Efficiency by Bond-Graph Approach

Authors: Benazzouz Djamel, Termeche Adel, Touati Youcef, Alem Said, Ouziala Mahdi

Abstract:

This paper presents an approach which detect and isolate efficiently a fault in a system. This approach avoids false alarms, non-detections and delays in detecting faults. A study case have been proposed to show the importance of taking into consideration the uncertainties in the decision-making procedure and their effect on the degradation diagnostic performance and advantage of using Bond Graph (BG) for such degradation. The use of BG in the Linear Fractional Transformation (LFT) form allows generating robust Analytical Redundancy Relations (ARR’s), where the uncertain part of ARR’s is used to generate the residuals adaptive thresholds. The study case concerns an electromechanical system composed of a motor, a reducer and an external load. The aim of this application is to show the effectiveness of the BG-LFT approach to robust fault detection.

Keywords: bond graph, LFT, uncertainties, detection and faults isolation, ARR

Procedia PDF Downloads 300
971 GeneNet: Temporal Graph Data Visualization for Gene Nomenclature and Relationships

Authors: Jake Gonzalez, Tommy Dang

Abstract:

This paper proposes a temporal graph approach to visualize and analyze the evolution of gene relationships and nomenclature over time. An interactive web-based tool implements this temporal graph, enabling researchers to traverse a timeline and observe coupled dynamics in network topology and naming conventions. Analysis of a real human genomic dataset reveals the emergence of densely interconnected functional modules over time, representing groups of genes involved in key biological processes. For example, the antimicrobial peptide DEFA1A3 shows increased connections to related alpha-defensins involved in infection response. Tracking degree and betweenness centrality shifts over timeline iterations also quantitatively highlight the reprioritization of certain genes’ topological importance as knowledge advances. Examination of the CNR1 gene encoding the cannabinoid receptor CB1 demonstrates changing synonymous relationships and consolidating naming patterns over time, reflecting its unique functional role discovery. The integrated framework interconnecting these topological and nomenclature dynamics provides richer contextual insights compared to isolated analysis methods. Overall, this temporal graph approach enables a more holistic study of knowledge evolution to elucidate complex biology.

Keywords: temporal graph, gene relationships, nomenclature evolution, interactive visualization, biological insights

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