Query: PKOM: A tool for clustering, analysis and comparison of big chemical collections

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Voronoi treemaps for the visualization of software metrics <=SEP=> In this paper we present a hierarchy-based visualization approach for software metrics using Treemaps. Contrary to existing rectangle-based Treemap layout algorithms, we introduce layouts based on arbitrary polygons that are advantageous with respect to the aspect ratio between width and height of the objects and the identification of boundaries between and within the hierarchy levels in the Treemap. The layouts are computed by the iterative relaxation of Voronoi tessellations. Additionally, we describe techniques that allow the user to investigate software metric data of complex systems by utilizing transparencies in combination with interactive zooming.

Chemoinformatics and Drug Discovery <=SEP=> This article reviews current achievements in the field of chemoinformatics and their impact on modern drug discovery processes. The main data mining approaches used in cheminformatics, such as descriptor computations, structural similarity matrices, and classification algorithms, are outlined. The applications of cheminformatics in drug discovery, such as compound selection, virtual library generation, virtual high throughput screening, HTS data mining, and in silico ADMET are discussed. At the conclusion, future directions of chemoinformatics are suggested.

Hierarchical Grouping to Optimize an Objective Function <=SEP=> Your use of the JSTOR archive indicates your acceptance of JSTOR's Terms and Conditions of Use, available at http://www.jstor.org/page/info/about/policies/terms.jsp. JSTOR's Terms and Conditions of Use provides, in part, that unless you have obtained prior permission, you may not download an entire issue of a journal or multiple copies of articles, and you may use content in the JSTOR archive only for your personal, non-commercial use.

A Hybrid Reverse Engineering Approach Combining Metrics and Program Visualization <=SEP=> Surprising as it may seem, many of the early adopters of the object-oriented paradigm already face a number of problems typically encountered in large-scale legacy systems. Consequently, reverse engineering techniques are relevant in an object-oriented context as well. This paper investigates a hybrid approach, combining the immediate appeal of visualisations with the scalability of metrics. We validate such a hybrid approach by showing how CodeCrawler —the experimental platform we built— allowed us to understand the program structure of, and identify potential design anomalies in a public domain software system.

Centroidal Voronoi Tessellations: Applications and Algorithms <=SEP=> A centroidal Voronoi tessellation is a Voronoi tessellation whose generating points are the centroids (centers of mass) of the corresponding Voronoi regions. We give some applications of such tessellations to problems in image compression, quadrature, finite difference methods, distribution of resources, cellular biology, statistics, and the territorial behavior of animals. We discuss methods for computing these tessellations, provide some analyses concerning both the tessellations and the methods for their determination, and, finally, present the results of some numerical experiments.

Graph-based forensic investigation of Bitcoin transactions <=SEP=> This thesis illustrates forensic research work on Bitcoin, an innovative Internet based global transaction system that attracts ascending popularity during the recent few years. As an open, public and scalable distributed payment system, Bitcoin brings forward significant economic and technological impact to our world. Meanwhile, a new notion of virtual currency, “Bitcoin” comes into existence such that Bitcoin currency can be “mined” from all over world complying with specific algorithms. Mined bit “coins” has practical monetary values that turn the Bitcoin system into a digital currency circulation system. Due to Bitcoin’s decentralized semantics, Bitcoin transaction and currency are not subject to control and censorship from any single authority. Therefore, Bitcoin brings out various security concerns about its application as a long-term reliable system. The research in the thesis focuses on forensic study on Bitcoin. It covers experimental study on the Bitcoin network as a peer-to-peer system and a graph-based forensic approach against Bitcoin’s transaction data. Major contributions include network data evaluation and transaction history analysis. In case of forensic investigation is needed against criminal incidents such as fraud, false transactions and money theft, which are commonly seen in commonly used digital payment systems, the research provides a guidance of efficient information collection and framework of evidence data processing and extraction.

Antecedents and consequences of customer-company identification: expanding the role of relationship marketing. <=SEP=> This article presents an empirical test of organizational identification in the context of customer-company (C-C) relationships. It investigates whether customers identify with companies and what the antecedents and consequences of such identification are. The model posits that perceived company characteristics, construed external image, and the perception of the company's boundary-spanning agent lead to C-C identification. In turn, such identification is expected to impact both in-role behavior (i.e., product utilization) as well as extra-role behavior (i.e., citizenship). The model was tested in a consultative selling context of pharmaceutical sales reps calling on physicians. Results from the empirical test indicated that customers do indeed identify with organizations and that C-C identification positively impacts both product utilization behavior and extra-role behavior even when the effect of brand perception is accounted for. Second, the study found that the organization's characteristics as well as the salesperson's characteristics contributed to the development of C-C identification.

WAVES: A Wearable Asymmetric Vibration Excitation System for Presenting Three-Dimensional Translation and Rotation Cues <=SEP=> WAVES, a Wearable Asymmetric Vibration Excitation System, is a novel wearable haptic device for presenting three dimensions of translation and rotation guidance cues. In contrast to traditional vibration feedback, which usually requires that users learn to interpret a binary cue, asymmetric vibrations have been shown to induce a pulling sensation in a desired direction. When attached to the fingers, a single voicecoil actuator presents a translation guidance cue and a pair of voicecoil actuators presents a rotation guidance cue. The directionality of mechanoreceptors in the skin led to our choice of the location and orientation of the actuators in order to elicit very strong sensations in certain directions. For example, users distinguished a "left" cue versus a "right" cue 94.5% of the time. When presented with one of six possible direction cues, users on average correctly identified the direction of translation cues 86.1% of the time and rotation cues 69.0% of the time.

Automated detection of vulnerabilities in privileged programs by execution monitoring <=SEP=> We present a method for detecting exploitations of vulnerabilities in privileged programs by monitoring their execution using audit trials, where the monitoring is with respect to specifications of the security-relevant behavior of the programs. Our work is motivated by the intrusion detection paradigm, but is a n attempt to avoid a d hoc approaches to codifying misuse behavior. Our approach as based on the observation that although privileged programs can be exploited (due to errors) to cause security compromise in systems because of the privileges accorded to them, the intended behavior of privileged programs is, of course, limited a n d benign. The key, then i s to specify the intended behavior (Le., the program policy) and to detect any action by privileged program that is outside the intended behavior a n d that imperils security. We describe a program policy specification language, which is based on simple predicate logic and regular expressions. I n addition, we present specifications of privileged programs in Unix, and Q prototype execution monitor for analyzing audit trails with respect to these specifications. The program policies are surprisingly concise and clear, a n d an addition, capable of detecting exploitations of known vulnerabilities in these programs. Although our work has been motivated by the known vulnerabilities in Unix, we believe that by tightly restricting the behavior of all privileged programs, exploitations of unknown vulnerabilities can be detected. A s Q check on the specifications, work is in progress on verifying them with respect to a n abstract security policy. *This work is funded in part by the National Security Agency University Research Program under Contract No. DOD-MDA904-93-C4083 and by ARPA under Contract No. USNN00014-94-1-0065.

A review and outlook for a 'Building Information Model' (BIM): A multi-standpoint framework for technological development <=SEP=> 1474-0346/$ see front matter 2010 Elsevier Ltd. A doi:10.1016/j.aei.2010.06.003 * Tel.: +386 1 4768 521; fax: +386 1 4250 681. E-mail address: tomo.cerovsek@fgg.uni-lj.si This study provides a review of important issues for ‘Building Information Modelling’ (BIM) tools and standards and comprehensive recommendations for their advancement and development that may improve BIM technologies and provide a basis for inter-operability, integration, model-based communication, and collaboration in building projects. Based on a critical review of Building Product Modelling, including the development of standards for exchange and the features of over 150 AEC/O (Architecture, Engineering, Construction, and Operation) tools and digital models, a methodological framework is proposed for improvements to both BIM tools and schemata. The features relevant to the framework were studied using a conceptual process model and a ‘BIM System-of-Systems’ (BIM-SoS) model. The development, implementation, and use of the BIM Schema are analysed from the standpoint of standardisation. The results embrace the requirements for a BIM research methodology, with an example of methods and procedures, an R&D review with critique, and a multi-standpoint framework for developments with concrete recommendations, supported by BIM metrics, upon which the progress of tools, models, and standards may be measured, evaluated, streamlined, and judged. It is also proposed that any BIM Schema will never be ‘completed’ but should be developed as evolutionary ontology by ‘segmented standpoint models’ to better account for evolving tools and AEC/O practices. 2010 Elsevier Ltd. All rights reserved.

On the 1.1 Edge-Coloring of Multigraphs <=SEP=> 

Privacy protection issues in social networking sites <=SEP=> Social Networking Sites (SNS) have become very popular during the past few years, as they allow users to both express their individuality and meet people with similar interests. Nonetheless, there are also many potential threats to privacy associated with these SNS such as identity theft and disclosure of sensitive information. However, many users still are not aware of these threats and the privacy settings provided by SNS are not flexible enough to protect user data. In addition, users do not have any control over what others reveal about them. As such, we conduct a preliminary study which examines the privacy protection issues on Social Networking Sites (SNS) such as MySpace, Facebook and LinkedIn. Based on this study, we identify three privacy problems in SNS and propose a Privacy Framework as a foundation to cope with these problems.

Hesitant Fuzzy Sets: State of the Art and Future Directions <=SEP=> The necessity of dealing with uncertainty in real wold problems has been a long-term research challenge that has originated different methodologies and theories. Fuzzy sets along with their extensions such as, type-2 fuzzy sets, interval valued fuzzy sets, Atanassov’s intuitionistic fuzzy sets, etc., have provided a wide range of tools able to deal with uncertainty in different type of problems. Recently, a new extension of fuzzy sets so-called hesitant fuzzy sets has been introduced to deal with hesitant situations which were not well managed by the previous tools. Hesitant fuzzy sets have attracted very quickly the attention of many researchers that have proposed diverse extensions, several type of operators to compute with such type of information, and eventually some applications have been developed. Because of such a growth, this paper presents an overview on hesitant fuzzy sets with the aim of providing a clear perspective on the different concepts, tools and trends related to this extension of fuzzy sets.

Violence Detection in Movies <=SEP=> As violence in movies has harmful influence on children, in this paper, we propose an algorithm to detect violent scene in movies. Under our definition of violence, the task of violent scene detection is decomposed into action scene detection and bloody frame detection. While previous approaches addressed on shot level of video structure only, our approach works on more semantic-complete scene structure of video. The input video (digital movie) is first segmented into several scenes. Based on the filmmaking characteristics of action scene, some features of the scene are extracted to feed into the support vector machine for classification. Finally, the face, blood and motion information are integrated to determine whether the action scene has violent content. Experimental results show that the proposed approach works reasonably well in detecting most of the violent scenes. Compared with related work, our approach is computationally simple yet effective.

A comparative study of metamodeling methods for multiobjective crashworthiness optimization <=SEP=> The response surface methodology (RSM), which typically uses quadratic polynomials, is predominantly used for metamodeling in crashworthiness optimization because of the high computational cost of vehicle crash simulations. Research shows, however, that RSM may not be suitable for modeling highly nonlinear responses that can often be found in impact related problems, especially when using limited quantity of response samples. The radial basis functions (RBF) have been shown to be promising for highly nonlinear problems, but no application to crashworthiness problems has been found in the literature. In this study, metamodels by RSM and RBF are used for multiobjective optimization of a vehicle body in frontal collision, with validations by finite element simulations using the full-scale vehicle model. The results show that RSM is able to produce good approximation models for energy absorption, and the model appropriateness can be well predicted by ANOVA. However, in the case of peak acceleration, RBF is found to generate better models than RSM based on the same number of response samples, with the multiquadric function identified to be the most stable RBF. Although RBF models are computationally more expensive, the optimization results of RBF models are found to be more accurate. 2005 Elsevier Ltd. All rights reserved.

Accuracy of Ultrasound-Guided Genicular Nerve Block: A Cadaveric Study. <=SEP=> BACKGROUND
Genicular nerve block has recently emerged as a novel alternative treatment in chronic knee pain. The needle placement for genicular nerve injection is made under fluoroscopic guidance with reference to bony landmarks.


OBJECTIVE
To investigate the anatomic landmarks for medial genicular nerve branches and to determine the accuracy of ultrasound-guided genicular nerve block in a cadaveric model.


STUDY DESIGN
Cadaveric accuracy study.


SETTING
University hospital anatomy laboratory.


METHODS
Ten cadaveric knee specimens without surgery or major procedures were used in the study. The anatomic location of the superior medial genicular nerve (SMGN) and the inferior medial genicular nerve (IMGN) was examined using 4 knee dissections. The determined anatomical sites of the genicular nerves in the remaining 6 knee specimens were injected with 0.5 mL red ink under ultrasound guidance. The knee specimens were subsequently dissected to assess for accuracy. If the nerve was dyed with red ink, it was considered accurate placement. All other locations were considered inaccurate.


RESULTS
The course of the SMGN is that it curves around the femur shaft and passes between the adductor magnus tendon and the femoral medial epicondyle, then descends approximately one cm anterior to the adductor tubercle. The IMGN is situated horizontally around the tibial medial epicondyle and passes beneath the medial collateral ligament at the midpoint between the tibial medial epicondyle and the tibial insertion of the medial collateral ligament. The adductor tubercle for the SMGN and the medial collateral ligament for the IMGN were determined as anatomic landmarks for ultrasound. The bony cortex one cm anterior to the peak of the adductor tubercle and the bony cortex at the midpoint between the peak of the tibial medial epicondyle and the initial fibers inserting on the tibia of the medial collateral ligament were the target points for the injections of SMGN and IMGN, respectively. In the cadaver dissections both genicular nerves were seen to be dyed with red ink in all the injections of the 6 knees.


LIMITATIONS
The small number of cadavers might have led to some anatomic variations of genicular nerves being overlooked.


CONCLUSIONS
The result of this cadaveric study suggests that ultrasound-guided medial genicular nerve branch block can be performed accurately using the above-stated anatomic landmarks.

#Proana: Pro-Eating Disorder Socialization on Twitter. <=SEP=> PURPOSE
Pro-eating disorder (ED) online movements support engagement with ED lifestyles and are associated with negative health consequences for adolescents with EDs. Twitter is a popular social media site among adolescents that provides a unique setting for Pro-ED content to be publicly exchanged. The purpose of this study was to investigate Pro-ED Twitter profiles' references to EDs and how their social connections (followers) reference EDs.


METHODS
A purposeful sample of 45 Pro-ED profiles was selected from Twitter. Profile information, all tweets, and a random sample of 100 of their followers' profile information were collected for content analysis using the Twitter Application Programming Interface. A codebook based on ED screening guidelines was applied to evaluate ED references. For each Pro-ED profile, proportion of tweets with ED references and proportion of followers with ED references in their own profile were evaluated.


RESULTS
In total, our 45 Pro-ED profiles generated 4,245 tweets for analysis. A median of 36.4% of profiles' tweets contained ED references. Pro-ED profiles had a median of 173 followers, and a median of 44.5% of followers had ED references. Pro-ED profiles with more tweets with ED references also tended to have more followers with ED references (β = .37, p < .01).


CONCLUSIONS
Findings suggest that profiles which self-identify as Pro-ED express disordered eating patterns through tweets and have an audience of followers, many of whom also reference ED in their own profiles. ED socialization on Twitter might provide social support, but in the Pro-ED context this activity might also reinforce an ED identity.

Phased array systems and technologies in SELEX-Sistemi Integrati: State of art and new challenges <=SEP=> This paper is a follow-on of [1] and [2], presented at 1996 and 2003 IEEE Intl. Symposium on Phased Array Systems and Technology, respectively. After a brief recall of 3D Long Range phased array concepts, already presented in [2], the focus is on the G-band multifunction radar systems and on the technological capabilities that SELEX-Sistemi Integrati is developing by taking advantage of its Research and Development facilities. At the end, future trends about new challenging applications and technological issues are presented and discussed.

Morpho-syntactic Lexical Generalization for CCG Semantic Parsing <=SEP=> In this paper, we demonstrate that significant performance gains can be achieved in CCG semantic parsing by introducing a linguistically motivated grammar induction scheme. We present a new morpho-syntactic factored lexicon that models systematic variations in morphology, syntax, and semantics across word classes. The grammar uses domain-independent facts about the English language to restrict the number of incorrect parses that must be considered, thereby enabling effective learning from less data. Experiments in benchmark domains match previous models with one quarter of the data and provide new state-of-the-art results with all available data, including up to 45% relative test-error reduction.

A 2.4 GHz Interferer-Resilient Wake-Up Receiver Using A Dual-IF Multi-Stage N-Path Architecture <=SEP=> A 2.4 GHz interferer-resilient wake-up receiver for ultra-low power wireless sensor nodes uses an uncertain-IF dualconversion topology, combining a distributed multi-stage N-path filtering technique with an unlocked low-Q resonator-referred local oscillator. This structure provides narrow-band selectivity and strong immunity against interferers, while avoiding expensive external resonant components such as BAW resonators or crystals. The 65 nm CMOS receiver prototype provides a sensitivity of -97 dBm and a carrier-to-interferer ratio better than -27 dB at 5 MHz offset, for a data rate of 10 kb/s at a 10-3 bit error rate, while consuming 99 μW from a 0.5 V voltage supply under continuous operation.

Risk indicators and psychopathology in traumatised children and adolescents with a history of sexual abuse <=SEP=> Childhood sexual abuse (CSA) is widespread amongst South African (SA) children, yet data on risk factors and psychiatric consequences are limited and mixed. Traumatised children and adolescents referred to our Youth Stress Clinic were interviewed to obtain demographic, sexual abuse, lifetime trauma and psychiatric histories. Data for 94 participants (59 female, 35 male; mean age 14.25 [8.25–19] years) exposed to at least one lifetime trauma were analysed. Sexual abuse was reported in 53% of participants (42.56% females, 10.63% males) with 64% of violations committed by perpetrators known to them. Multinomial logistic regression analysis revealed female gender (P = 0.002) and single-parent families (P = 0.01) to be significant predictors of CSA (62.5%). CSA did not predict exposure to other traumas. Sexually abused children had significantly higher physical and emotional abuse subscale scores and total CTQ scores than non-abused children. Depression (33%, X 2 = 10.89, P = 0.001) and PTSD (63.8%, X 2 = 4.79, P = 0.034) were the most prevalent psychological consequences of trauma and both were significantly associated with CSA. High rates of CSA predicted high rates of PTSD in this traumatised sample. Associations we found appear consistent with international studies of CSA and, should be used to focus future social awareness, prevention and treatment strategies in developing countries.

Factors affecting the Choice of High Tech Engineering majors for University women and Men in Bangladesh <=SEP=> In contrast to western countries which are experiencing declines in female enrollment in high tech engineering (HTE), Bangladesh has experienced a continuous increase in female enrollment in engineering. In order to better understand the factors driving the choice of HTE as a major, survey data was collected from 590 male and female students in HTE majors in Bangladesh. Hypotheses related to gender differences in the influence of various factors on major choice were examined using t-tests. Results revealed that, while several factors had a similar impact for women and men, gender differences in selfefficacy and socio-economic status persist and may represent barriers to women’s participation.

Learning long-range vision for autonomous off-road driving <=SEP=> Most vision-based approaches to mobile robotics suffer from the limitations imposed by stereo obstacle detection, which is short-range and prone to failure. We present a self-supervised learning process for long-range vision that is able to accurately classify complex terrain at distances up to the horizon, thus allowing superior strategic planning. The success of the learning process is due to the self-supervised training data that is generated on every frame: robust, visually consistent labels from a stereo module, normalized wide-context input windows, and a discriminative and concise feature representation. A deep hierarchical network is trained to extract informative and meaningful features from an input image, and the features are used to train a realtime classifier to predict traversability. The trained classifier sees obstacles and paths from 5 to over 100 meters, far beyond the maximum stereo range of 12 meters, and adapts very quickly to new environments. The process was developed and tested on the LAGR mobile robot. Results from a ground truth dataset are given as well as field test results.

Hybrid encryption/decryption technique using new public key and symmetric key algorithm <=SEP=> This research study proposes Hybrid Encryption System using new public key algorithm and private key algorithm. A hybrid cryptosystem is one which combines the convenience of a public-key cryptosystem with the efficiency of a symmetrickey cryptosystem. Here, we propose a provably two way secured data encryption system, which addresses the concerns of user’s privacy, authentication and accuracy. This system has two different encryption algorithms have been used both in the Encryption and decryption sequence. One is public key cryptography based on linear block cipher another one is private key cryptography based on simple symmetric algorithm. This cryptography algorithm provides more security as well as authentication comparing to other existing hybrid algorithm.

A One-Layer Recurrent Neural Network with a Discontinuous Activation Function for Linear Programming <=SEP=> A one-layer recurrent neural network with a discontinuous activation function is proposed for linear programming. The number of neurons in the neural network is equal to that of decision variables in the linear programming problem. It is proven that the neural network with a sufficiently high gain is globally convergent to the optimal solution. Its application to linear assignment is discussed to demonstrate the utility of the neural network. Several simulation examples are given to show the effectiveness and characteristics of the neural network.

Works for me! characterizing non-reproducible bug reports <=SEP=> Bug repository systems have become an integral component of software development activities. Ideally, each bug report should help developers to find and fix a software fault. However, there is a subset of reported bugs that is not (easily) reproducible, on which developers spend considerable amounts of time and effort. We present an empirical analysis of non-reproducible bug reports to characterize their rate, nature, and root causes. We mine one industrial and five open-source bug repositories, resulting in 32K non-reproducible bug reports. We (1) compare properties of non-reproducible reports with their counterparts such as active time and number of authors, (2) investigate their life-cycle patterns, and (3) examine 120 Fixed non-reproducible reports. In addition, we qualitatively classify a set of randomly selected non-reproducible bug reports (1,643) into six common categories. Our results show that, on average, non-reproducible bug reports pertain to 17% of all bug reports, remain active three months longer than their counterparts, can be mainly (45%) classified as "Interbug Dependencies'', and 66% of Fixed non-reproducible reports were indeed reproduced and fixed.

Anatomic Study of the Retaining Ligaments of the Face and Applications for Facial Rejuvenation <=SEP=> Level of Evidence V This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of

A stereo display prototype with multiple focal distances <=SEP=> Typical stereo displays provide incorrect focus cues because the light comes from a single surface. We describe a prototype stereo display comprising two independent fixed-viewpoint volumetric displays. Like autostereoscopic volumetric displays, fixed-viewpoint volumetric displays generate near-correct focus cues without tracking eye position, because light comes from sources at the correct focal distances. (In our prototype, from three image planes at different physical distances.) Unlike autostereoscopic volumetric displays, however, fixed-viewpoint volumetric displays retain the qualities of modern projective graphics: view-dependent lighting effects such as occlusion, specularity, and reflection are correctly depicted; modern graphics processor and 2-D display technology can be utilized; and realistic fields of view and depths of field can be implemented. While not a practical solution for general-purpose viewing, our prototype display is a proof of concept and a platform for ongoing vision research. The design, implementation, and verification of this stereo display are described, including a novel technique of filtering along visual lines using 1-D texture mapping.

UnTran: Recognizing Unseen Activities with Unlabeled Data Using Transfer Learning <=SEP=> The success and impact of activity recognition algorithms largely depends on the availability of the labeled training samples and adaptability of activity recognition models across various domains. In a new environment, the pre-trained activity recognition models face challenges in presence of sensing bias- ness, device heterogeneities, and inherent variabilities in human behaviors and activities. Activity Recognition (AR) system built in one environment does not scale well in another environment, if it has to learn new activities and the annotated activity samples are scarce. Indeed building a new activity recognition model and training the model with large annotated samples often help overcome this challenging problem. However, collecting annotated samples is cost-sensitive and learning activity model at wild is computationally expensive. In this work, we propose an activity recognition framework, UnTran that utilizes source domains' pre-trained autoencoder enabled activity model that transfers two layers of this network to generate a common feature space for both source and target domain activities. We postulate a hybrid AR framework that helps fuse the decisions from a trained model in source domain and two activity models (raw and deep-feature based activity model) in target domain reducing the demand of annotated activity samples to help recognize unseen activities. We evaluated our framework with three real-world data traces consisting of 41 users and 26 activities in total. Our proposed UnTran AR framework achieves ≈ 75% F1 score in recognizing unseen new activities using only 10% labeled activity data in the target domain. UnTran attains ≈ 98% F1 score while recognizing seen activities in presence of only 2-3% of labeled activity samples.

Feature-Oriented Software Product Lines <=SEP=> Inevitably, reading is one of the requirements to be undergone. To improve the performance and quality, someone needs to have something new every day. It will suggest you to have more inspirations, then. However, the needs of inspirations will make you searching for some sources. Even from the other people experience, internet, and many books. Books and internet are the recommended media to help you improving your quality and performance.