Wells score

Unreasonable docked binding mode. Fast docking tools cannot produce reliable solutions for all compounds often, even some well-scoring compounds are simply docked to the outer surface of the protein or adopt rather strained conformations to achieve good surface complementarity within the binding pocket. Computational filters help to detect such situations (329). 

Performance A product or service that performs its intended function well scores high on this dimension of quality. 

The connection table of the query object (similarity probe) is processed to obtain the set of atom pairs, and then the database file is scanned to evaluate the similarity between the query and each of the database structures. The maximum number of structures that the program will select is specified, as well as the minimum similarity score that a database compoimd must show to be selected. Within these limits, the program will select from the database the structures that are most similar (with the highest similarity value) to the query and will create an output file of compoimd numbers and similarity values, sorted by decreasing similarity, for the selected compounds. 

Clinical trials for r-IEN-y in RA indicated that the dmg is well tolerated (52). Consistent improvement in tender and swollen joint scores was observed, but a large number of patients were needed in the trial to show statistical significance for r-IEN-y treatment. In certain individuals, responses were remarkable. An additive effect between r-IEN-y and penicillamine was detected. Efficacy was lower when r-IEN-y was combined with gold therapy. Research is continuing. 

To demonstrate the excellent correlation (r- = 0.99) between the luminance of the images and molecular diversity, we plotted the luminance values of the map versus the mean similarity values of data sets (Fig. 4-13). From this plot, a scoring scheme for the classification of CSPs from specific to broad application range can be well established Crownpak CR > Pirkle DNBPG > Whelk > Chiralpak AD > Chiralcel OD. 

All of the world s major economies, as well as scores of smaller, low-income nations, rely mainly on hydrocarbons. Crude oil now supplies two-fifths of the world s primary energy (Table 1). There are distinct consumption patterns in the shares of light and hea vy oil products the United States burns more than 40 percent of all its liquid fuels as gasoline, Japan just a fifth and the residual fuel oil accounts for nearly a third of Japanese use, but for less than 3 percent of the U.S. total. Small countries of the Persian Gulf have the highest per capita oil consumption (more than 5 t a year in the United Arab Emirates and in Qatar) the U.S. rate is more than 2.5 t a year European means arc around 1 t China s mean is about 120 kg, and sub-Saharan Africa is well below 100 kg per capita. 

Comparative primary skin irritation scores of surfactant solutions (15% active content) show various types of sulfosuccinates as being the least irritant materials, well below sodium laureth-3 sulfate. It was also shown that an increase in degree of ethoxylation reduces skin and eye irritation, leading to laureth-3 (lauryl alcohol with 3 mol ethylene oxide) as the ideal organic raw material [17]. The results are given in Fig. 9 for eye irritation and in Fig. 10 for skin irritation. 

Water serves as a base value in this test and sodium lauryl sulfate as a well-known irritating surfactant. Lauryl ether sulfate served as a substance with high sales volume and good skin tolerance. As was to be expected, lauryl ether sulfate scored only slightly better than lauryl sulfate. Sulfosuccinate values obtained were classified under little skin roughening effect. ... 

The cost functional is the indicator of how well the control loop is functioning. The lAE criterion used essentially says "measure the cumulative difference between the actual value and the desired set point" this cumulative score is a measure of control system performance. With this code in the model, the commands to do the controller tuning are ... 

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