application of quantum mechanical calculations to metabolism prediction

... the prediction of ectotoxic potency for population growth impairment to the aquatic ciliate Tetrahymena pyriformis by substituted benzenes II BACKGROUND The basic concept of QSAR as applied to toxicology ... function of a toxicological QSAR is to predict toxicity accurately To meet this goal knowledge of the toxicological and chemical information on which the model is based is essential A number of computer-assisted ... assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis, Chemosphere, 49, 1201–1221, 2002 Dearden, J.C., Physico-chemical descriptors, in...

Ngày tải lên: 11/08/2014, 12:21

... http://www.jneuroengrehab.com/content/7/1/2 Page of 11 Figure Concept of Home Rehabilitation Resistive Elements The mechanical characteristics of resistive elements are similar to the ones of rubber as they are mostly ... adequate visual feedback to the patient to allow him to correct errors and to move accordingly to the individually specified training plan [48-50] The PC screen is used to display the visual feedback ... like the use of web cams, accelerometers, gyroscopes or magnetometers to aid more information to the feedback data basis [62] The FTS fulfils the requirements of a small, cheap and easy to use training...

Ngày tải lên: 19/06/2014, 08:20

... NMSE = E ⎣ htot ⎤ ⎦, (26) where htot is a 2QN × vector containing Tc /2-spaced samples of the actual total CIR defined as htot = G(τ)a (27) and htot is defined similarly as the estimated total CIR ... receiver over a period of M symbols can be written in vector form as K Sk τ k ak + w, x= (5) k=1 where ak , τ k are the vectors of delays and gains of user k, w is the MQN × noise vector, and Sk (τ k ... columns of G(τ) contain delayed versions of a raised cosine pulse shaping filter The inner product of two columns of G(τ), that is, g(τi ) and g(τ j ), approximates the value of the autocorrelation...

Ngày tải lên: 22/06/2014, 22:20

... discrepancies could be attributed to some of the previously mentioned factors affecting the accuracy of the genetic position assigned to each marker However, none of these factors were present in the ... error rate, a low rate of appearance of new mutations when compared to SSR, and are amenable for easy storage in genotype databases Given the state of revision and integration of genetic resources ... set, the total exclusion probability of paternity found for the set of 151 cultivars was high (0.9997) but the number of markers is far too small for a reliable pedigree analysis Logarithm of odds...

Ngày tải lên: 11/08/2014, 11:21

... autocorrelation of x(n) In [9], the authors showed that the spectrogram and the Capon estimator have the same performance in terms of resolution and estimation of the instantaneous frequency of ... and retaining eigenvectors vectors associated to the smallest p − K eigenvalues of the covariance matrix The autocorrelation matrix in equation (13) is singular, the problem of inversion can be ... leads to an additional parameter to be determined The use of matrix decomposition allows to solve this problem On the other hand, it is possible to reduce the computational complexity of the...

Ngày tải lên: 14/11/2015, 08:03

... document Automation- and Drive Technology- SCE 3.1.1 Module A1 – Totally Integrated Automation (T I A) Learning goal: The reader is introduced to the philosophy of Totally Integrated Automation ... configuration of an innovative automation system to the reader and convert and strengthen the attained knowledge into practical exercises The exercises contain examples of the automation system ... Installation of software and the modification of a program interface • Explanation of what a PLC is and how it works • Structure and operation of a PLC SIMATIC S7-300 • Compilation of an example...

Ngày tải lên: 25/01/2014, 09:20

... sensitivity range of 6.0 to 7.6 and a color range of yellow to blue; and cresol red, with a pH sensitivity range of 7.2 to 8.8 and a color range of yellow to red Knowing the pH of pool water is ... Add a measured amount of the indicator solution to the sample Usually drops of indicator is used Mix this solution by swirling the tube of sample water with the top or stopper on the cell Do ... 5.5 24 Guide to Raising pH: Example: To determine the ounces of sodium bisulfate needed to lower the pH of a 24,000 gallon swimming pool from pH 9.0 to 7.5: One pound (16 ounces) of sodium carbonate...

Ngày tải lên: 11/03/2014, 17:20

... choosing a route from Montreal to Lexington LET'SGO P_M TO TRY Let's go via Detroit (displays a route to Detroit but not on to Lexington) Is this OK? YES NOW LET'S GO TO LEXINGTON Yep OKAY NOW ADD STATE ... sending the engine at Albany to ME A JET ADD ALBANY NEEDS TO GO TO MILWAUKEE The engine at Albany needs to go to Milwaukee Tell me a route to use to get from Albany to Milwaukee, please I'D GO ... Milwaukee, Lexington and Washington S: U" S: U: S: U: S: Ok I think I'm ready to start OKAYLET'SSEE CONTAINFROMDETROITTO WASHINGTON Okay Let's take a train from Detroit to Washington What route...

Ngày tải lên: 23/03/2014, 20:21

... human) to assign them confidently to a particular part of speech Many of the mistakes that taggers make have to with erroneous assignments of POS tags to such words A particular occurrence of ‘since’ ... “knowledge” of the automatic tagger may consist of a set of rules or of a statistical analysis of the results Either way, a good tagger will provide accurate descriptions for 97 out of a 100 words ... amount of largely tacit knowledge to the task of making sense of the characters on the page The computer, however, lacks this knowledge If you want to take full advantage of the query potential of...

Ngày tải lên: 24/03/2014, 19:20

... Đ then the procedure converges to the solution of Eq Moreover, the rate of convergence depends only on the property of the loss function, and not on the size of This property is critical as ... optimize tens millions of parameters automatically, which makes it applicable to other problems as well The choice of our formulation is convex, which ensures that we are able to nd the global optimum ... a BLEU score of and (Ittycheriah and Roukos, 2005) reports a BLEU score of g q g Ă !q v w ig U   Let be a set of training sentences Each sentence is associated with a set of possible translation...

Ngày tải lên: 31/03/2014, 01:20

... of adhering to the plastic dish as a monolayer The surface antigen profile of the MYC-transformed cells was quite similar to that of their parental cells except in their negative expression of ... induction of adipogenesis in MSCs required cycles of a 6-day treatment protocol consisting of days’ exposure to induction medium and days’ exposure to maintenance medium We observed that exposure to ... purification of exosomes The instrument setup consisted of a liquid chromatography system with a binary pump, an auto injector, a thermostated column oven and a UV-visible detector operated by...

Ngày tải lên: 18/06/2014, 19:20

... related to the inclusion of the dynamic part Rather, it is more likely due to the unbalance of size during the learning process, i.e a to ratio between one class compared to all the others together ... the effect of these factors seemed to have interaction, thus they have to be optimized together This increases significantly the time required to train the algorithm and the amount of data required ... Long, T Hortobágyi, Teager-Kaiser Operator improves the accuracy of EMG onset detection independent of signal-tonoise ratio Acta of bioengineering and biomechanics/Wroclaw University of Technology...

Ngày tải lên: 19/06/2014, 08:20

... operators associated with A, η -accretive mappings include as special cases the corresponding resolvent operators associated with H, η -monotone operators, m-accretive mappings, Amonotone operators, ... deals with an introduction of a generalized version of the over-relaxed proximal point algorithm and its applications to approximation solvability of the inclusion problem of the form 2.1 based on ... introduced, which is applied to the approximation solvability of a general class of inclusions problems by the generalized resolvent operator technique, and the convergence of iterative sequences generated...

Ngày tải lên: 21/06/2014, 05:20

... according to the distribution analysis of the video dataset, a “skeleton” of the prototypes of the semantic concepts can be achieved in a training set with an extremely limited number of samples ... represent the prototypes of the semantic concepts to be modeled from the video collection Here, we detail the aforementioned four metrics to measure the representativeness of a training set To clearly ... of dot products of FVs, and As aforementioned, four metrics have been defined to measure the representativeness of TrnSet According to these metrics, the following rules are further proposed to...

Ngày tải lên: 22/06/2014, 06:20

... each pixel of the distorted image is associated to its corresponding pixel on the undistorted image Images of a grid, painted on a stretch of flat road in front of the truck, are used to compute ... width of the histogram for the region of interest The width of the histogram is computed in correspondence to a given threshold When a polar histogram features several peaks, different values of ... onto the road plane These regions produce peaks on the polar histogram Thus, the presence of strong peaks can be used to detect obstacles Some specific configurations of this histogram have to...

Ngày tải lên: 22/06/2014, 19:20

... transform domain and the other was robust to general geometric distortions as well as signal process, which was constructed from DWT coefficients of log-polar mapping of the host image However, all these ... The properties of higher-order statistics are becoming more and more thoroughly studied in the field of signal processing One property of great interest is the fact that the cumulant of Gaussian ... very good tool to analyze the audio signal which is nonstationary Cox et al suggest that a watermark should be placed in perceptually significant regions of the host signal if it is to be robust...

Ngày tải lên: 22/06/2014, 19:20

... (iii-i) prediction by an almost deterministic stochastic rule; (iii-ii) stochastic choice of an almost deterministic stochastic prediction rule (random delays), and (iv) auto stimulation by means of ... activator signal to genes in the next layer that tends to make the cell-cycle progress in its sequence; (ii) an inhibitory feedback signal to the genes in the previous layer aiming to stop the ... values of xi can affect the value of xi (t) If pi = 0, previous values of xi have no pi effect on the value of xi (t) and the summation k=1 bik xi (t − k) is defined to be zero The component i of the...

Ngày tải lên: 22/06/2014, 19:20