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    Performance of two-stage trip generation models in estimating daily infrequent trips

    , Article Amirkabir (Journal of Science and Technology) ; Volume 14, Issue 56 C , 2003 , Pages 1185-1198 ; 10150951 (ISSN) Kermanshah, M ; Asghari, G ; Sharif University of Technology
    2003
    Abstract
    This study investigates validity of continuity assumption of error terms underlying multiple linear regression approach of trip generation models for infrequent trips. Since not many household members make daily trips for purposes like shopping or personal business, estimation of such trips with their discrete and non- negative nature and still close to zero averages, using conventional multiple linear regression, needs to be investigated. This study employs a two-stage trip generation model; the probability of making/not making trip is modeled first by binary probit, then, number of trips for those who have already made trips are estimated by the weighted least square method. The results... 

    Prediction of bioconcentration factor using genetic algorithm and artificial neural network

    , Article Analytica Chimica Acta ; Volume 486, Issue 1 , 2003 , Pages 101-108 ; 00032670 (ISSN) Fatemi, M. H ; Jalali Heravi, M ; Konuze, E ; Sharif University of Technology
    Elsevier  2003
    Abstract
    In this paper, genetic algorithm (GA) and stepwise multiple regression variable selection methods were used as a feature-selection tools and neural network was employed for feature mapping. To provide an extended test of these hybrid methods, a data set consists of the bioconcentration factors (BCF) for 53 molecules were selected. Suitable set of molecular descriptors were calculated and the important descriptors were selected by genetic algorithm and stepwise multiple regression methods. These variables serve as inputs to generated neural networks. After optimization and training of the networks, they were used for the calculation of bioconcentration factors for the prediction set.... 

    Development of comprehensive descriptors for multiple linear regression and artificial neural network modeling of retention behaviors of a variety of compounds on different stationary phases

    , Article Journal of Chromatography A ; Volume 903, Issue 1-2 , 2000 , Pages 145-154 ; 00219673 (ISSN) Jalali Heravi, M ; Parastar, F ; Sharif University of Technology
    2000
    Abstract
    A new series of six comprehensive descriptors that represent different features of the gas-liquid partition coefficient, K(L), for commonly used stationary phases is developed. These descriptors can be considered as counterparts of the parameters in the Abraham solvatochromic model of solution. A separate multiple linear regression (MLR) model was developed by using the six descriptors for each stationary phase of poly(ethylene glycol adipate) (EGAD), N,N,N',N'-tetrakis(2-hydroxypropyl) ethylenediamine (THPED), poly(ethylene glycol) (Ucon 50 HB 660) (U50HB), di(2-ethylhexyl)phosphoric acid (DEHPA) and tetra-n-butylammonium N,N-(bis-2-hydroxylethyl)-2-aminoethanesulfonate (QBES). The results... 

    Use of quantitative structure activity relationships in prediction of CMC of nonionic surfactants

    , Article Quantitative Structure-Activity Relationships ; Volume 19, Issue 2 , 2000 , Pages 135-141 ; 09318771 (ISSN) Jalali Heravi, M ; Konouz, E ; Sharif University of Technology
    2000
    Abstract
    The CMC of a set of51 alkylpolyoxyethylene glycol ethers, R(EO)(m), and alkylphenol (ethylene oxide) ethers, RΦ(EO)(m), was related to topological, electronic and molecular structure parameters using a stepwise regression method. In development of the models linear and quadratic terms were used without the use of cross terms. Different strategies including Akaike Information Criterion (AIC) were used for choosing the best model. Specification of the best model in agreement with the experiment indicates that volume of the hydrophobic group and surface area of the molecule play a major role in the mechanism of micellization of nonionic surfactants. It was demonstrated that the CMC of these... 

    Use of self-training artificial neural networks in modeling of gas chromatographic relative retention times of a variety of organic compounds

    , Article Journal of Chromatography A ; Volume 945, Issue 1-2 , 2002 , Pages 173-184 ; 00219673 (ISSN) Jalali Heravi, M ; Garkani Nejad, Z ; Sharif University of Technology
    2002
    Abstract
    A quantitative structure-activity relationship study based on multiple linear regression (MLR), artificial neural network (ANN), and self-training artificial neural network (STANN) techniques was carried out for the prediction of gas chromatographic relative retention times of 13 different classes of organic compounds. The five descriptors appearing in the selected MLR model are molecular density, Winer number, boiling point, polarizability and square of polarizability. A 5-6-1 ANN and a 5-4-1 STANN were generated using the five descriptors appearing in the MLR model as inputs. Comparison of the standard errors and correlation coefficients shows the superiority of ANN and STANN over the MLR... 

    Multiple linear regression modeling of the critical micelle concentration of alkyltrimethylammonium and alkylpyridinium salts

    , Article Journal of Surfactants and Detergents ; Volume 6, Issue 1 , 2003 , Pages 25-30 ; 10973958 (ISSN) Jalali Heravi, M ; Konouz, E ; Sharif University of Technology
    American Oil Chemists Society  2003
    Abstract
    The critical micelle concentration (CMC) of a set of 30 alkyltrimethylammonium [RN+(R′)3X-] and alkylpyridinium salts [RN+φX-] was related to topological, electronic, and molecular structure parameters using a stepwise regression method. Among different models obtained, two equations were selected as the best and their specifications are given. The statistics for these models together with the crossvalidation results indicate the capability of both models to predict the CMC of cationic surfactants. The results obtained for alkyltrimethylammonium salts indicate that geometric characteristics such as volume of the tail of the molecule, maximum distance between the atoms, and surface area play... 

    MVC app: A smartphone application for performing chemometric methods

    , Article Chemometrics and Intelligent Laboratory Systems ; Volume 147 , October , 2015 , Pages 105-110 ; 01697439 (ISSN) Parastar, H ; Shaye, H ; Sharif University of Technology
    Elsevier  2015
    Abstract
    In this work, a novel smartphone application entitled ". MVC app" is developed to perform different multivariate calibration methods. This app is designed for chemists who are not expert in programming or in advanced statistics. The developed application can use any Android-powered device as an environment for running. It is an easy to use app which can simply install in your smartphone and play. Different multivariate calibration methods, such as multiple linear regression (MLR), principal component regression (PCR) and partial least squares (PLS) are included in this app. As an instance, for performing PLS modeling, first calibration and validation data sets are imported (via USB or... 

    Configuration of Steel Catenary Risers for the Caspian Sea Deepwater Environment

    , M.Sc. Thesis Sharif University of Technology Ghorbanzadeh, Mohammad (Author) ; Golafshani, Ali Akbar (Supervisor)
    Abstract
    Marine risers are tubular components, which are used to transfer fluids between seabed and floating platform. They may have a great share in cost of oil and gas production systems. One of the risers used in deep-water, is Steel Catenary Riser which is an economic alternative. However, amongst issues in designing this type of risers, high stress level in floating platform connection point and seabed touch- down zone is notable which is created due to platform movements, currents and wave loading and finally, leads to fatigue life reduction. Using buoyancy modules which are attached to risers is one of stress levels reduction solutions in hotspot points. In this study, considering the Caspian... 

    Inspection of Inhibitory Effect of 5-Hydroxy-3(2H)-Pyridazinone Derivatives on Hepatitis C Virus Using Chemometric Methods

    , M.Sc. Thesis Sharif University of Technology Paeenmahali, Habibollah (Author) ; Jalali-Heravi, Mehdi (Supervisor)
    Abstract
    The derivatives of 5-Hydroxy-3(2H)-pyridazinone show inhibitory effects on hepatitis C virus. The aim of the present work was modeling and prediction of inhibitory effects of these derivatives (Log(1/EC50)) on this disease. In this research, a data set of 119 molecules of 5-Hydroxy-3(2H)-pyridazinone derivatives that have inhibitory effect on hepatitis C virus was selected. The MLR model was generated using SPSS package. Five important descriptors were selected applying stepwise variable selection technique. These descriptors selected through 1207 descriptors that were calculated for all molecules in data set. Best model with high R2 and F values and low RMSE was selected for the... 

    Chemometrics Modeling of MonoAmine Oxidase Inhibitory Effects of Pyrazoline Derivatives Using PCA-MLR-ANN Approaches

    , M.Sc. Thesis Sharif University of Technology Hassanzadeh Rad, Arman (Author) ; Jalali-Heravi, Mehdi (Supervisor)
    Abstract
    Prevalence of Multiple Drug Resistant Tuberculosis and use of Yersinia-Pestis in bioterrorism warrants synthesis of new antimicrobial agents. Although Pyrazoline derivatives were first synthesized as antimicrobial drugs, but they also had Mono Amine Oxidase inhibitory effects. In this Quantitative Structure – Activity Relationship (QSAR) study, MAO-I activity of pyrazoline derivatives were evaluated. By applying semi-empirical quantum calculations at AM1 level, optimum 3D geometry of 32 molecules were obtained.After descriptor generation, Principal Component Analysis (PCA) was performed to fiind out 5 outliers. After omitting outliers and sorting molecules according to IC50 values, Stepwise... 

    Quantitative Risk Assessment on Water Conduits by Regression Model and Its Application in Predicting the Cost of Repairing and Replacing

    , M.Sc. Thesis Sharif University of Technology Ganjeh, Arash (Author) ; Eshraghniaye Jahromi, Abdolhamid (Supervisor)
    Abstract
    Since early civilizations underground water pipes have played a major role on promoting human being life style. Today, centuries after designing water mains equipment, utilizing a water distribution and sewage collection system is matter of great necessity in modern metropolises. In current research the pilot area is located in the city center .the major motivation for opting such area was extraordinary breakage rate which was unseen on other city areas and nearby cities. Data pertaining to four commonly used pipe material were collected. Preliminary data quality analysis was conducted to detect distinct contradictions. On basis of collected data, breakage rate plots were depicted for each... 

    Analysis of Airborne Particulate Matter Toxicity and its Origin

    , M.Sc. Thesis Sharif University of Technology Sabet, Masoud (Author) ; Erhami, Mohammad (Supervisor)
    Abstract
    Epidemiological studies have shown a positive association between particulate matters exposure and adverse health effects. However, the insufficient knowledge about the influences of components or characteristics of these particles on their health effects and toxicity leads into inefficient control practices for reducing particulates health effects. So, relationship between particles toxicity and their emission sources and components is a valuable criterion in particle emission control strategies. Moreover, as people spend most of their time in indoor environment, investigating the main sources and components of particulate toxicity in indoor environment and finding the influence of outdoor... 

    Investigating the Effect of International Collaborations on the Network IndiCentralityces of the Selected Iranian Universities' Faculty Members

    , M.Sc. Thesis Sharif University of Technology Mohammadi, Moloud (Author) ; Mirnezami, Reza (Supervisor)
    Abstract
    Today, the importance of scientific collaborations is due to the fact that researchers who jointly publish an article, research connections are formed between them, and as a result, professional learning is obtained. Each of these researchers brings a feature and advantage to the research team, such as mastering a particular topic and its subdivisions, team thinking, and division of labor between them. The importance of these collaborations is doubled when researchers collaborate with each other at the international level, because the networking of researchers through collaboration with colleagues from different countries, especially central and developed countries in science, in addition to... 

    QSAR analysis of platelet-derived growth inhibitors using GA-ANN and shuffling crossvalidation

    , Article QSAR and Combinatorial Science ; Volume 27, Issue 6 , 2008 , Pages 750-757 ; 1611020X (ISSN) Jalali Heravi, M ; Asadollahi Baboli, M ; Sharif University of Technology
    2008
    Abstract
    Quantitative Structure - Activity Relationship (QSAR) models for the inhibition action of some 1-phenylbenzimidazoles on platelet-derived growth are constructed using Genetic Algorithm and Artificial Neural Network (GA-ANN) method. The statistical parameters of R2 and root-mean-square error are 0.82 and 0.21, respectively using this method. These parameters show a considerable improvement compared to the stepwise multiple linear regression combined with ANN (stepwise MLR-ANN). Ten-fold shuffling crossvalidations are carried out to select the most important descriptors. Five descriptors of index of Balaban (J), average molecular weight (AMW), 3D-Wiener index (W3D), mean atomic van der Waals... 

    Spatial Transferability Evaluation of Vehicles Kilometers of Travel (VKT) Models in Metropolitan Cities of Iran

    , M.Sc. Thesis Sharif University of Technology Neshaastegaran, Pouya (Author) ; Kermanshah, Mohammad (Supervisor)
    Abstract
    Vehicle Kilometers of Travel (VKT) as one of the most important indicators of travel behavior, express the total kilometers traveled by all vehicles on city networks. Due to the expansion of urbanization and, consequently, the growth of cities, the need for awareness of citizen’s travel behavior and planning for it, is felt in more cities. Spatial transfer of a model which refers to transfer a model from on region (context) to another one, helps different regions to benefit from the results of modeling with a relatively low expense.The main purpose of the research was evaluating spatial transferability of models developed to estimate VKT in three metropolitan cities of Iran which are... 

    The Investigation of the Forecast of Rail-Passenger Transport Ticket Reservation Demand

    , M.Sc. Thesis Sharif University of Technology Kazemi Asl, Ali (Author) ; Karami, Naser (Supervisor)
    Abstract
    Demand estimation has always been one of the most important components of marketing in all industries. Because the profitability of any organization depends on the demand for the product or service that the organization offers to the market. On the other hand, in order to optimize the performance of the organization and better planning, we need to have an estimate of demand in order to avoid wasting the available facilities by optimally allocating resources. Another issue that shows the importance of demand estimation is the dependence of optimal pricing on the amount of demand, which can be said to be the most important tool of the organization to manage its revenue. Optimal pricing can be... 

    Solvent effects on kinetics of an heteroatomic nucleophilic substitution reaction in ionic liquid and molecular solvents mixtures

    , Article Russian Journal of Physical Chemistry A ; Volume 87, Issue 12 , 2013 , Pages 1969-1975 ; 00360244 (ISSN) Salari, H ; Pedervand, M ; Sadeghzadeh Darabi, F ; Gholami, M. R ; Sharif University of Technology
    2013
    Abstract
    Rate constants, k A, for the aromatic nucleophilic substitution reaction of 2-chloro-3,5-dinitropyridine with aniline were determined in different compositions of 2-propanol mixed with hexane, benzene, and 2-methylpropan-2-ol and 1-ethyl-3-methylimidazolium ethylsulfate ([Emim][EtSO4]) with dimethyl sulfoxide at 25 C. The obtained rate constants of the reaction in pure solvents are in the following order: 2-methylpropan-2-ol > dimethyl sulfoxide > 2-propanol > hexane > benzene > [Emim][EtSO4]. Molecularmicroscopic solvent parameters corresponding to the selected binary mixtures were utilized to study the kinetics of a nucleophilic substitution reaction in order to investigate and compare the... 

    Design of a neuro-fuzzy-regression expert system to estimate cost in a flexible jobshop automated manufacturing system

    , Article International Journal of Advanced Manufacturing Technology ; Volume 67, Issue 5-8 , 2013 , Pages 1809-1823 ; 02683768 (ISSN) Fazlollahtabar, H ; Mahdavi Amiri, N ; Sharif University of Technology
    2013
    Abstract
    We propose a cost estimation model based on a fuzzy rule backpropagation network, configuring the rules to estimate the cost under uncertainty. A multiple linear regression analysis is applied to analyze the rules and identify the effective rules for cost estimation. Then, using a dynamic programming approach, we determine the optimal path of the manufacturing network. Finally, an application of this model is illustrated through a numerical example showing the effectiveness of the proposed model for solving the cost estimation problem under uncertainty  

    Producer's behavior analysis in an uncertain bicriteria AGV-based flexible jobshop manufacturing system with expert system

    , Article International Journal of Advanced Manufacturing Technology ; 2013 , Pages 1605-1618 ; 02683768 (ISSN) Fazlollahtabar, H ; Mahdavi Amiri, N ; Sharif University of Technology
    2013
    Abstract
    Here, an approach for finding an optimal path in a flexible jobshop manufacturing system considering two criteria of time and cost is proposed. A network is configured in which the nodes are considered to be the shops with arcs representing the paths among the shops. An automated guided vehicle functions as a material handling device through the manufacturing network. To account for uncertainty, time is considered to be a triangular fuzzy number and apply an expert system to infer the cost. The expert system based on fuzzy rule backpropagation network to configure the rules for estimating the cost under uncertainty is proposed. A multiple linear regression model is applied to analyze the... 

    Seasonal prediction of Karoon streamflow using large-scale climate indices

    , Article World Environmental and Water Resources Congress 2011: Bearing Knowledge for Sustainability - Proceedings of the 2011 World Environmental and Water Resources Congress, 22 May 2011 through 26 May 2011 ; May , 2011 , Pages 1184-1193 ; 9780784411735 (ISBN) Azimi, M ; Golpaygani, F ; Tajrishy, M ; Abrishamchi, A ; Sharif University of Technology
    2011
    Abstract
    Water resources limitation in arid and semi arid regions on one hand and water demand increase on the other, have made the optimum utilization of existing water resources and systems necessary. In this context, researchers are trying to increase the accuracy and lag time of prediction by using various statistic and empirical models as well as different local and long-range variables in the last decades. Karoon River is the greatest and most important river in Iran because of agricultural water demand supply and hydroelectric power production. Therefore streamflow prediction of this river has considerable economical and social benefits. In this study the relationship between Karoon stramflow...