Data Mining Classification Methods Applied in Drug Design

Data mining incorporates a group of statistical methods used to analyze a set of information, or a data set. It operates with models and algorithms, which are powerful tools with the great potential. They can help people to understand the patterns in certain chunk of information so it is obvious that the data mining tools have a wide area of applications. For example in the theoretical chemistry data mining tools can be used to predict moleculeproperties or improve computer-assisted drug design. Classification analysis is one of the major data mining methodologies. The aim of thecontribution is to create a classification model, which would be able to deal with a huge data set with high accuracy. For this purpose logistic regression, Bayesian logistic regression and random forest models were built using R software. TheBayesian logistic regression in Latent GOLD software was created as well. These classification methods belong to supervised learning methods. It was necessary to reduce data matrix dimension before construct models and thus the factor analysis (FA) was used. Those models were applied to predict the biological activity of molecules, potential new drug candidates.

Barriers of Productivity in Public Sector Automotive Manufacturing Industry of Pakistan

The public sector losses are the major cause of stagnant growth of Pakistan. Public sector automotive manufacturing industry is one of the major contributors of these losses. This research has been carried out in order to identify the major barriers of productivity of this industry and suggest measures for improvement. This qualitative and quantitative research consisted of informal interviews, discussions augmented by closed ended questionnaire. Three major manufacturing units were chosen for this research and responses from 103 employees were collected. It was found out in this research that numerous productivity flaws exist in the system which requires immediate attention. Besides highlighting flaws this research also suggests corrective actions and areas for future research to overcome these problems.

High Quality Speech Coding using Combined Parametric and Perceptual Modules

A novel approach to speech coding using the hybrid architecture is presented. Advantages of parametric and perceptual coding methods are utilized together in order to create a speech coding algorithm assuring better signal quality than in traditional CELP parametric codec. Two approaches are discussed. One is based on selection of voiced signal components that are encoded using parametric algorithm, unvoiced components that are encoded perceptually and transients that remain unencoded. The second approach uses perceptual encoding of the residual signal in CELP codec. The algorithm applied for precise transient selection is described. Signal quality achieved using the proposed hybrid codec is compared to quality of some standard speech codecs.

Bioinformatics Profiling of Missense Mutations

The ability to distinguish missense nucleotide substitutions that contribute to harmful effect from those that do not is a difficult problem usually accomplished through functional in vivo analyses. In this study, instead current biochemical methods, the effects of missense mutations upon protein structure and function were assayed by means of computational methods and information from the databases. For this order, the effects of new missense mutations in exon 5 of PTEN gene upon protein structure and function were examined. The gene coding for PTEN was identified and localized on chromosome region 10q23.3 as the tumor suppressor gene. The utilization of these methods were shown that c.319G>A and c.341T>G missense mutations that were recognized in patients with breast cancer and Cowden disease, could be pathogenic. This method could be use for analysis of missense mutation in others genes.

Modeling and Control of Two Manipulators Handling a Flexible Beam

This paper seeks to develop simple yet practical and efficient control scheme that enables cooperating arms to handle a flexible beam. Specifically the problem studied herein is that of two arms rigidly grasping a flexible beam and such capable of generating forces/moments in such away as to move a flexible beam along a predefined trajectory. The paper develops a sliding mode control law that provides robustness against model imperfection and uncertainty. It also provides an implicit stability proof. Simulation results for two three joint arms moving a flexible beam, are presented to validate the theoretical results.

Fuel Reserve Tanks Dynamic Analysis Due to Earthquake Loading

In this paper, the dynamic analysis of fuel storage tanks has been studied and some equations are presented for the created fluid waves due to storage tank motions. Also, the equations for finite elements of fluid and structure interactions, and boundary conditions dominant on structure and fluid, were researched. In this paper, a numerical simulation is performed for the dynamic analysis of a storage tank contained a fluid. This simulation has carried out by ANSYS software, using FSI solver (Fluid and Structure Interaction solver), and by considering the simulated fluid dynamic motions due to earthquake loading, based on velocities and movements of structure and fluid according to all boundary conditions dominant on structure and fluid.

Orchestra/Percussion Classification Algorithm for United Speech Audio Coding System

Unified Speech Audio Coding (USAC), the latest MPEG standardization for unified speech and audio coding, uses a speech/audio classification algorithm to distinguish speech and audio segments of the input signal. The quality of the recovered audio can be increased by well-designed orchestra/percussion classification and subsequent processing. However, owing to the shortcoming of the system, introducing an orchestra/percussion classification and modifying subsequent processing can enormously increase the quality of the recovered audio. This paper proposes an orchestra/percussion classification algorithm for the USAC system which only extracts 3 scales of Mel-Frequency Cepstral Coefficients (MFCCs) rather than traditional 13 scales of MFCCs and use Iterative Dichotomiser 3 (ID3) Decision Tree rather than other complex learning method, thus the proposed algorithm has lower computing complexity than most existing algorithms. Considering that frequent changing of attributes may lead to quality loss of the recovered audio signal, this paper also design a modified subsequent process to help the whole classification system reach an accurate rate as high as 97% which is comparable to classical 99%.

Microbial Leaching Process to Recover Valuable Metals from Spent Petroleum Catalyst Using Iron Oxidizing Bacteria

Spent petroleum catalyst from Korean petrochemical industry contains trace amount of metals such as Ni, V and Mo. Therefore an attempt was made to recover those trace metal using bioleaching process. Different leaching parameters such as Fe(II) concentration, pulp density, pH, temperature and particle size of spent catalyst particle were studied to evaluate their effects on the leaching efficiency. All the three metal ions like Ni, V and Mo followed dual kinetics, i.e., initial faster followed by slower rate. The percentage of leaching efficiency of Ni and V were higher than Mo. The leaching process followed a diffusion controlled model and the product layer was observed to be impervious due to formation of ammonium jarosite (NH4)Fe3(SO4)2(OH)6. In addition, the lower leaching efficiency of Mo was observed due to a hydrophobic coating of elemental sulfur over Mo matrix in the spent catalyst.

Denoising by Spatial Domain Averaging for Wireless Local Area Network Terminal Localization

Terminal localization for indoor Wireless Local Area Networks (WLANs) is critical for the deployment of location-aware computing inside of buildings. A major challenge is obtaining high localization accuracy in presence of fluctuations of the received signal strength (RSS) measurements caused by multipath fading. This paper focuses on reducing the effect of the distance-varying noise by spatial filtering of the measured RSS. Two different survey point geometries are tested with the noise reduction technique: survey points arranged in sets of clusters and survey points uniformly distributed over the network area. The results show that the location accuracy improves by 16% when the filter is used and by 18% when the filter is applied to a clustered survey set as opposed to a straight-line survey set. The estimated locations are within 2 m of the true location, which indicates that clustering the survey points provides better localization accuracy due to superior noise removal.

A Failure Analysis Tool for HDD Analysis

The study of piezoelectric material in the past was in T-Domain form; however, no one has studied piezoelectric material in the S-Domain form. This paper will present the piezoelectric material in the transfer function or S-Domain model. S-Domain is a well known mathematical model, used for analyzing the stability of the material and determining the stability limits. By using S-Domain in testing stability of piezoelectric material, it will provide a new tool for the scientific world to study this material in various forms.

Identification of Seat Belt Wearing Compliance Associate Factors in Malaysia: Evidence-based Approach

The aim of the study was to identify seat belt wearing factor among road users in Malaysia. Evidence-based approach through in-depth crash investigation was utilised to determine the intended objectives. The objective was scoped into crashes investigated by Malaysian Institute of Road Safety Research (MIROS) involving passenger vehicles within 2007 and 2010. Crash information of a total of 99 crash cases involving 240 vehicles and 864 occupants were obtained during the study period. Statistical test and logistic regression analysis have been performed. Results of the analysis revealed that gender, seat position and age were associated with seat belt wearing compliance in Malaysia. Males are 97.6% more likely to wear seat belt compared to females (95% CI 1.317 to 2.964). By seat position, the finding indicates that frontal occupants were 82 times more likely to be wearing seat belt (95% CI 30.199 to 225.342) as compared to rear occupants. It is also important to note that the odds of seat belt wearing increased by about 2.64% (95% CI 1.0176 to 1.0353) for every one year increase in age. This study is essential in understanding the Malaysian tendency in belting up while being occupied in a vehicle. The factors highlighted in this study should be emphasized in road safety education in order to increase seat belt wearing rate in this country and ultimately in preventing deaths due to road crashes.

Towards CO2 Adsorption Enhancement via Polyethyleneimine Impregnation

To reduce the carbon dioxide emission into the atmosphere, adsorption is believed to be one of the most attractive methods for post-combustion treatment of flue gas. In this work, activated carbon (AC) was modified by polyethylenimine (PEI) via impregnation in order to enhance CO2 adsorption capacity. The adsorbents were produced at 0.04, 0.16, 0.22, 0.25, and 0.28 wt% PEI/AC. The adsorption was carried out at a temperature range from 30 °C to 75 °C and five different gas pressures up to 1 atm. TG-DTA, FT-IR, UV-visible spectrometer, and BET were used to characterize the adsorbents. Effects of PEI loading on the AC for the CO2 adsorption were investigated. Effectiveness of the adsorbents on the CO2 adsorption including CO2 adsorption capacity and adsorption temperature was also investigated. Adsorption capacities of CO2 were enhanced with the increase in the amount of PEI from 0.04 to 0.22 wt% PEI before the capacities decreased onwards from0.25 wt% PEI at 30 °C. The 0.22 wt% PEI/AC showed higher adsorption capacity than the AC for adsorption at 50 °C to 75 °C.

Decoder Design for a New Single Error Correcting/Double Error Detecting Code

This paper presents the decoder design for the single error correcting and double error detecting code proposed by the authors in an earlier paper. The speed of error detection and correction of a code is largely dependent upon the associated encoder and decoder circuits. The complexity and the speed of such circuits are determined by the number of 1?s in the parity check matrix (PCM). The number of 1?s in the parity check matrix for the code proposed by the authors are fewer than in any currently known single error correcting/double error detecting code. This results in simplified encoding and decoding circuitry for error detection and correction.

Simulation of Enhanced Biomass Gasification for Hydrogen Production using iCON

Due to the environmental and price issues of current energy crisis, scientists and technologists around the globe are intensively searching for new environmentally less-impact form of clean energy that will reduce the high dependency on fossil fuel. Particularly hydrogen can be produced from biomass via thermochemical processes including pyrolysis and gasification due to the economic advantage and can be further enhanced through in-situ carbon dioxide removal using calcium oxide. This work focuses on the synthesis and development of the flowsheet for the enhanced biomass gasification process in PETRONAS-s iCON process simulation software. This hydrogen prediction model is conducted at operating temperature between 600 to 1000oC at atmospheric pressure. Effects of temperature, steam-to-biomass ratio and adsorbent-to-biomass ratio were studied and 0.85 mol fraction of hydrogen is predicted in the product gas. Comparisons of the results are also made with experimental data from literature. The preliminary economic potential of developed system is RM 12.57 x 106 which equivalent to USD 3.77 x 106 annually shows economic viability of this process.

An in Silico Approach for Prioritizing Drug Targets in Metabolic Pathway of Mycobacterium Tuberculosis

There is an urgent need to develop novel Mycobacterium tuberculosis (Mtb) drugs that are active against drug resistant bacteria but, more importantly, kill persistent bacteria. Our study structured based on integrated analysis of metabolic pathways, small molecule screening and similarity Search in PubChem Database. Metabolic analysis approaches based on Unified weighted used for potent target selection. Our results suggest that pantothenate synthetase (panC) and and 3-methyl-2-oxobutanoate hydroxymethyl transferase (panB) as a appropriate drug targets. In our study, we used pantothenate synthetase because of existence inhibitors. We have reported the discovery of new antitubercular compounds through ligand based approaches using computational tools.

The Potential Use of Nanofilters to Supply Potable Water in Persian Gulf and Oman Sea Watershed Basin

In a world worried about water resources with the shadow of drought and famine looming all around, the quality of water is as important as its quantity. The source of all concerns is the constant reduction of per capita quality water for different uses. Iran With an average annual precipitation of 250 mm compared to the 800 mm world average, Iran is considered a water scarce country and the disparity in the rainfall distribution, the limitations of renewable resources and the population concentration in the margins of desert and water scarce areas have intensified the problem. The shortage of per capita renewable freshwater and its poor quality in large areas of the country, which have saline, brackish or hard water resources, and the profusion of natural and artificial pollutant have caused the deterioration of water quality. Among methods of treatment and use of these waters one can refer to the application of membrane technologies, which have come into focus in recent years due to their great advantages. This process is quite efficient in eliminating multi-capacity ions; and due to the possibilities of production at different capacities, application as treatment process in points of use, and the need for less energy in comparison to Reverse Osmosis processes, it can revolutionize the water and wastewater sector in years to come. The article studied the different capacities of water resources in the Persian Gulf and Oman Sea watershed basins, and processes the possibility of using nanofiltration process to treat brackish and non-conventional waters in these basins.

Network State Classification based on the Statistical properties of RTT for an Adaptive Multi-State Proactive Transport Protocol for Satellite based Networks

This paper attempts to establish the fact that Multi State Network Classification is essential for performance enhancement of Transport protocols over Satellite based Networks. A model to classify Multi State network condition taking into consideration both congestion and channel error is evolved. In order to arrive at such a model an analysis of the impact of congestion and channel error on RTT values has been carried out using ns2. The analysis results are also reported in the paper. The inference drawn from this analysis is used to develop a novel statistical RTT based model for multi state network classification. An Adaptive Multi State Proactive Transport Protocol consisting of Proactive Slow Start, State based Error Recovery, Timeout Action and Proactive Reduction is proposed which uses the multi state network state classification model. This paper also confirms through detail simulation and analysis that a prior knowledge about the overall characteristics of the network helps in enhancing the performance of the protocol over satellite channel which is significantly affected due to channel noise and congestion. The necessary augmentation of ns2 simulator is done for simulating the multi state network classification logic. This simulation has been used in detail evaluation of the protocol under varied levels of congestion and channel noise. The performance enhancement of this protocol with reference to established protocols namely TCP SACK and Vegas has been discussed. The results as discussed in this paper clearly reveal that the proposed protocol always outperforms its peers and show a significant improvement in very high error conditions as envisaged in the design of the protocol.

Chaos Theory and Application in Foreign Exchange Rates vs. IRR (Iranian Rial)

Daily production of information and importance of the sequence of produced data in forecasting future performance of market causes analysis of data behavior to become a problem of analyzing time series. But time series that are very complicated, usually are random and as a result their changes considered being unpredictable. While these series might be products of a deterministic dynamical and nonlinear process (chaotic) and as a result be predictable. Point of Chaotic theory view, complicated systems have only chaotically face and as a result they seem to be unregulated and random, but it is possible that they abide by a specified math formula. In this article, with regard to test of strange attractor and biggest Lyapunov exponent probability of chaos on several foreign exchange rates vs. IRR (Iranian Rial) has been investigated. Results show that data in this market have complex chaotic behavior with big degree of freedom.

Runoff Quality and Pollution Loading from a Residential Catchment in Miri, Sarawak

Urban non-point source (NPS) pollution for a residential catchment in Miri, Sarawak was investigated for two storm events in 2011. Runoff from two storm events were sampled and tested for water quality parameters including TSS, BOD5, COD, NH3-N, NO3-N, NO2-N, P and Pb. Concentration of the water quality parameters was found to vary significantly between storms and the pollutant of concern was found to be NO3-N, TSS, COD and Pb. Results were compared to the Interim National Water Quality Standards for Malaysia (INWQS),and the stormwater runoff from the study can be classified as polluted, exceeding class III water quality, especially in terms of TSS, COD, and NH3-N with maximum EMCs of 158, 135, and 2.17 mg/L, respectively.

Modeling of Session Initiation Protocol Invite Transaction using Colored Petri Nets

Wireless mobile communications have experienced the phenomenal growth through last decades. The advances in wireless mobile technologies have brought about a demand for high quality multimedia applications and services. For such applications and services to work, signaling protocol is required for establishing, maintaining and tearing down multimedia sessions. The Session Initiation Protocol (SIP) is an application layer signaling protocols, based on request/response transaction model. This paper considers SIP INVITE transaction over an unreliable medium, since it has been recently modified in Request for Comments (RFC) 6026. In order to help in assuring that the functional correctness of this modification is achieved, the SIP INVITE transaction is modeled and analyzed using Colored Petri Nets (CPNs). Based on the model analysis, it is concluded that the SIP INVITE transaction is free of livelocks and dead codes, and in the same time it has both desirable and undesirable deadlocks. Therefore, SIP INVITE transaction should be subjected for additional updates in order to eliminate undesirable deadlocks. In order to reduce the cost of implementation and maintenance of SIP, additional remodeling of the SIP INVITE transaction is recommended.