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chemical informatics using molecular shape descriptors in structure based drug design

Tài liệu Báo cáo khoa học:

Tài liệu Báo cáo khoa học: "An Alignment Algorithm using Belief Propagation and a Structure-Based Distortion Model" pdf

Báo cáo khoa học

... case in the IBM models, we will try to design a distortion model based on the structures of the sentences In particular, we are interested in using the trees produced by syntactic parsers The intuition ... Nagao, 1994) The line SDM:Parsing (SDM standing for Structure- based Distortion Monolink”) shows the results obtained by using P-sets from the trees produced by these parsers The line SDM:Adjacency ... α in the range [0.5,0.9] were giving good results, which lead to think that α can be set mostly independently from the training corpus We still need to train the concepts probabilities (used in...
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chemical kinetics from molecular structure to chemical reactivity

chemical kinetics from molecular structure to chemical reactivity

Hóa học - Dầu khí

... i Chemical Kinetics From Molecular Structure to Chemical Reactivity This page intentionally left blank Prelims.qxd 12/22/2006 10:42 AM Page iii Chemical Kinetics From Molecular Structure to Chemical ... will see in Chapter 9, is extremely useful in obtaining information on mechanisms of reactions involving ions in solution If the rate law involves the concentration of a species involved in a pre-equilibrium ... electronic energy, including re-emitting light and returning to the ground state, reacting exothermically either intra-molecularly or inter-molecularly with another molecule, and thus converting part of...
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highly efficient human action recognition using compact 2dpca-based descriptors in the spatial and transform domains

highly efficient human action recognition using compact 2dpca-based descriptors in the spatial and transform domains

Tin học

... centroids per video computed in the training and testing modes, respectively The training and testing algorithms are in Algorithms and respectively, where the training algorithm represents one ... divided into two modes, the training mode and the testing mode The input patterns are the 2DHoG B-bins frames Let k denote the number of training frames, the jth training frame is denoted by an (m ... voting then Action corresponding to majority labels //minimum distance per camera else Action corresponding to minimum //minimum distance per camera end if end if Majority voting technique to infer...
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WNT SIGNALING IN ZEBRAFISH FIN REGENERATION: CHEMICAL BIOLOGY USING A GSK3β INHIBITOR

WNT SIGNALING IN ZEBRAFISH FIN REGENERATION: CHEMICAL BIOLOGY USING A GSK3β INHIBITOR

Y khoa - Dược

... Weidinger et al 2007) Interestingly, disruption of β-catenin independent Wnt signaling affects fin regeneration as well Inhibition of the β-catenin independent Wnt signaling pathway results in increased ... for each fin β-catenin Staining Analysis Fin regenerates were collected at dpa and stained using anti-β-catenin antibody, as described above Intensity measurements in the regenerating fin rays ... β-catenin independent Wnt signaling completely blocks fin regeneration (Stoick-Cooper, Weidinger et al 2007) These findings suggest a model in which β-catenin independent Wnt signaling acts in a...
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Efficacy of different protein descriptors in predicting protein functional families using support vector machine

Efficacy of different protein descriptors in predicting protein functional families using support vector machine

Tổng hợp

... building a recognition model: training (learning) and testing (classification) In the training mode, feature extraction/selection is used to find the appropriate descriptors for representing the input ... of structure- based methods for predicting protein function — till now, the protein folding problem remains largely unsolved Experimental methods to determine protein structures are time-consuming ... significantly more time for training than other machine learning methods Training is normally performed by repeatedly presenting the network with instances from a training set, and allowing it gradually to...
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Phosphate removal from aqueous solutions using red mud wasted in bauxite Bayer's process

Phosphate removal from aqueous solutions using red mud wasted in bauxite Bayer's process

Môi trường

... procedure Red mud was obtained from a bauxite ore refinery in Guinea It was analyzed using Emission Spectral Analyser PGS-2 Q24 Carl Zeiss Jena, Atomic Absorption Spectrometer Perkin Elmer 370, and M6ssbauer ... is known as a binding agent in synthetic detergent production thus being a source for water pollution To a 50 ml water sample, with the preliminary concentration of PO43 determined, a fixed quantity ... continuous mixing using a magnet stirrer The treated mud was separated from the acid suspension, washed with distilled water (to pH 7), dried at 105°C and ground to powder The liquid phase remaining...
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DETOXIFICATION OF TRICHLOROETHYLENE (TCE) USING SOLAR LIGHT/TiO2 IN A UV CONCENTRATING RADIATION SYSTEM

DETOXIFICATION OF TRICHLOROETHYLENE (TCE) USING SOLAR LIGHT/TiO2 IN A UV CONCENTRATING RADIATION SYSTEM

Môi trường

... groundwater using well pump in one-pass solar detoxification system (Pacheco et al., 1993) and contaminated surface water can be treated in a UV concentrating radiation System (Yves et al., 1996) In this ... reactor - 39 - The dark reaction was initially carried out by injecting a sampling of TCE into the slurry of TiO2 to given a final solution of 50 ppm TCE The run in the dark condition (TiO2 alone) ... TiO2 concentration using linear regression analysis, and the result are shown in Figure 3(a) We found that, at low loading from to 0.2wt%, the degradation rate increased linearly with TiO2 concentration,...
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Implementing ITIL Using the PMBOK Guide in Four Repeatable Steps

Implementing ITIL Using the PMBOK Guide in Four Repeatable Steps

Quản trị mạng

... Implementing ITIL® using the PMBOK® Guide in Four Repeatable Steps Lawrence Cooper, PMP, CPM, ITIL Service Manager Introduction `Begin at the beginning,' the King said gravely, `and ... stop,” we have seen that, in the case of implementing ITIL using project management best practices, we have many project beginnings and ends—both during and after implementing ITIL This white paper ... practices in Project Management that are industry and project agnostic The PMBOK® Project Management processes are further divided into five process groups: • • • • • Initiating Planning Executing...
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Using a DataReader Object in Visual Studio .NET

Using a DataReader Object in Visual Studio .NET

Kỹ thuật lập trình

... source=localhost;initial catalog=Northwind;persist security info=False;user id=sa;pwd=sa;workstation id=JMPRICE-DT1;packet size=4096 Notice the substring pwd=sa in this string to set the password Finally, ... to the ListView control using the Add() method, which is accessed using the Items property The Add() method expects a string parameter, and you therefore call the ToString() method to convert ... control using the Add() method Figure 9.3 shows the completed Form1_Load() method Figure 9.3: The completed Form1_Load() method Before you run your form, you'll need to add a substring containing...
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Tài liệu Using Simulink and Stateflow in Automotive Applicationsl doc

Tài liệu Using Simulink and Stateflow in Automotive Applicationsl doc

Cơ khí - Chế tạo máy

... "Automotive Engine Modeling for Real-Time Control Using Matlab/Simulink," 1995 SAE Intl Cong paper 950417 USING S IMULINK AND S TATEFLOW IN A UTOMOTIVE A PPLICATIONS 17 II ANTI-LOCK BRAKING SYSTEM ... most common design uses of Simulink and Stateflow today The applications and models described in this booklet include the following examples using Simulink alone: I Engine Model engine.mdl — open-loop ... analyzed using a lumped-parameter model, according to the configuration shown in Figure 3.1 T in ω e ωv Ie Iv Fn Figure 3.1: The clutch system, analyzed using a lumped-parameter model USING S IMULINK...
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Tài liệu Using the Shape Language to Retrieve Hierarchical Data doc

Tài liệu Using the Shape Language to Retrieve Hierarchical Data doc

Kỹ thuật lập trình

... sets combine the results for multiple queries into a single structure They are generated using the Data Shaping Service for OLE DB first introduced in ADO 2.0 This provider supports the Shape language ... connection string using data shaping is shown here: Provider=MSDataShape;Data Provider=SQLOLEDB;Data Source=(local); Initial Catalog=Northwind;Integrated Security=SSPI; For more information about ... ConfigurationSettings.AppSettings["OleDb _Shape_ ConnectString"]); // Create a command and fill a DataReader with the // SHAPE result set OleDbCommand cmd = new OleDbCommand(shapeText, conn);...
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Chemical bonding and molecular geometry( liên két hóa học và hình học phân tử)

Chemical bonding and molecular geometry( liên két hóa học và hình học phân tử)

Sư phạm hóa

... Cataloging -in- Publication Data Gillespie, Ronald J (Ronald James) Chemical bonding and molecular geometry from Lewis to electron densities / R.i Gillespie, P.L.A Popelier p cm -(Topics in inorganic ... Paulo Shanghai Singapore Taipei Tokyo Toronto Warsaw and associated compani es in Berlin Ibadan Copyright © 2001 by Oxford University Press, Inc Published by Oxford University Press, Inc 198 Madison ... this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, recording, or otherwise, without the prior permission...
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Chemical bonding and molecular geometry( liên kết hóa học và hình học phân tử)

Chemical bonding and molecular geometry( liên kết hóa học và hình học phân tử)

Sư phạm hóa

... Cataloging -in- Publication Data Gillespie, Ronald J (Ronald James) Chemical bonding and molecular geometry from Lewis to electron densities / R.i Gillespie, P.L.A Popelier p cm -(Topics in inorganic ... Paulo Shanghai Singapore Taipei Tokyo Toronto Warsaw and associated compani es in Berlin Ibadan Copyright © 2001 by Oxford University Press, Inc Published by Oxford University Press, Inc 198 Madison ... this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, recording, or otherwise, without the prior permission...
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Tài liệu Real-time, on-line monitoring of organic chemical reactions using extractive electrospray ionization tandem mass spectrometry pdf

Tài liệu Real-time, on-line monitoring of organic chemical reactions using extractive electrospray ionization tandem mass spectrometry pdf

Tự động hóa

... SIC trace of m/z 273 in Fig The more interesting thing is that the shape of individual pulses (indicated by the slope of the arrows) kept changing For example, at the beginning of the acetylation ... for the on-line monitoring and characterization of chemical reactions in real-time by quickly sampling the chemicals emerging from a running reaction mixture With a rather simple instrumental ... solution After reaching a steady state around 17 min, the m/z 273 signal continued to decrease until it disappeared Another point to be noted is that, by looking into single sampling pulses carefully...
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Tài liệu Báo cáo khoa học:

Tài liệu Báo cáo khoa học: "Japanese OCR Error Correction using Character Shape Similarity and Statistical Language Model " pptx

Báo cáo khoa học

... formulate the spelling correction of OCR errors in the noisy channel paradigm Let C represent the input string and X represent the OCR output string Finding the most probable string C" given the ... still preserving the original recognition ability 4 Approximate Word Matching Since there are no delimiters between words in Japanese, we have to hypothesize all substrings in the input sentence ... a score ranging from to 100 that represents the certainty of the first candidate In fact, we know nothing about the algorithm and the training data of the OCR At least, the training data should...
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Báo cáo

Báo cáo " Advantages and disadvantages of using computer network technology in language teaching " pptx

Báo cáo khoa học

... ĐHQGHN, Ngoại ngữ, T.XXI, Số 2, 2005 63 Financial barriers also include the investment in training The use of the Internet in language teaching and learning requires some technological knowledge ... real communication in the target language, including composing and exchanging messages with other students in the classroom or around the world (Oxford, 1990, p 79) By involving in an email exchange ... critical thinking and negotiation of meaning Distance learning is especially of benefits in language learning because not everyone can afford to study abroad and explore the language cultures In contrast,...
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Báo cáo

Báo cáo " A web-based decision support system for the evaluation and strategic planning using ISO 9000 factors in higher education " pot

Báo cáo khoa học

... Web -based DSS is to provide a way for storing, presenting, gathering, sharing, processing, and using information Web -based DSS is also to provide a distributed infrastructure for P.V Hai, Vatcharaporn ... standards as a single system originally designed to cover all manufacturing in service industries, and education and training [2,6] In addition, ISO 9000 is a series of generic international standards ... models in decision making for DSS AHP models are structured by decomposing a problem into a hierarchy of elements such as attributes and alternatives influencing a system by incorporating levels:...
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Báo cáo khoa học:

Báo cáo khoa học: "USING PLAUSIBLE INFERENCE RULES IN DESCRIPTION PLANNING" pot

Báo cáo khoa học

... rather than others in learning from descriptions They simply provide a starting point for exploring how explanation generation may take into account possible learning and inference rules, and ... to change those beliefs 5The scoring function compares the plausibly inferred information with the target, preferring more certain inferences, and inferences bring the knowledge of the object ... repeated until some terminating condition is met, such as the communicative goal being satisfied This explanation 'planning' strategy is a kind of heuristic search, using a modified best-first...
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Aquatic chemical kinetics   reaction rates of processes in natural waters

Aquatic chemical kinetics reaction rates of processes in natural waters

Môi trường

... predicting physical properties, chemical properties, and reactivity based on molecular structure Chemists apply intuition based on years of experience when deciding which neighboring group interactions ... of B in the lake The foregoing examples have examined the dynamics of a CSTR model lake Inllowing a single addition of pollutant We will now examine results from a '''l'lIdy continuous input ... liquid liquid 28 Kinetics of chemical transformations in the environment interfaces are very dynamic in nature, making the analysis of interfacial reactions complex The mineral~water interface exhibits...
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