Screening sets

AC Good, R Lewis. New methodology for profiling combinatorial libraries and screening sets Cleaning up the design process with HARPick. I Med Chem 40 3926-3936, 1997. 

The discrete distance option of SCREEN allows the user to input specific distances. Any number of distances (s 1 meter) can be input by the user and the maximum concentration for each distance will be calculated. The user will always be given this option whether or not the automated distance array option is used. The option is terminated by entering a distance of zero. SCREEN will accept distances out to 100 km for long-range transport estimates with the discrete distance option. However, for distances greater than 50 km, SCREEN sets the minimum 10 meter wind speed at 2 m/s to avoid unrealistic transport times. 

In most air and gas drilling operations, open-hole well completions are common. This type of completion is consistent with low pore pressure and the desire to avoid formation damage. It is often used for gas wells where nitrogen foam fracturing stimulation is necessary to provide production. In oil wells drilled with natural gas as the drilling fluid, the well is often an open hole completed with a screen set on a liner hanger to control sand influx to the well. 

Hann MM, Leach AR, Green DVS. Computational chemistry, molecular complexity and screening set design. In Oprea TI, editor, Chemoinformatics in drug discovery, Weinheim, Wiley-VCH, 2004 43-57. 

The second method on which most data in figures 4a and 4b are based, consists of making two consecutive measurements, one of which had the full screens set (3 in these experiments) right-side-out with respect to the flow direction through the probe (the front measurement) and the other had the screen set wrong-side-out with respect to the flow direction. Repeated pairs of measurements (about 20) were made and the ratio found to be F/B 2.34 . 32 and the losses SL 1.22 . 08. Note that 1.22 is approximately equal to 1.073, where 1.07 is the single screen SL factor. The apparent... 

Figure 4a. Typical size distribution of 21 Po, full line BOM results (both screen sets), dashed line EML results, for no growth regime. CN levels below 70 per cm , no SO2 added, humidity 2-5% or 75-90% made no difference. The difference in width is probably due to better resolution for series than for parallel method. Error bars are standard deviations for the measurements.

Jimonet, P. and Jager, R. (2004) Strategies for designing GPCR-focused libraries and screening sets. Current Opinion in Drug Discovery el Development, 7, 325-333. 

Methods of this nature are adequate for screening sets of hybridomas but not for selection from much larger libraries of antibodies. So, most recently, selection methods employing suicide substrates (Section 7) (Janda etal., 1997) or DNA amplification methodology (Fenniri et al., 1995) have been brought into the repertoire of techniques for the direct identification of antibodies that can turn over their substrate. However, the tedious screening of hybridomas remains the mainstay of abzyme identification. 

The previous examples confirm that it can be very useful to include CE methods in an orthogonal screening set for unknown mixtures, e.g., in impurity profiling. ... 

Computational Chemistry, Molecular Complexity and Screening Set Design... 

I 3 Computational Chemistry, Molecular Complexityand Screening Set Design 3.2... 

Another concept that has proved useful in our considerations of screening set design is the knowledge plot shown in Figure 3.1. This relates the different levels of knowledge about targets to the level of diversity (or its corollary focus) required in the molecules of interest. 

Fig. 3.8 Typical generic structures selected for the reduced complexity screening set.

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