Numerical criteria

The Web-based graphical user interface permits a choice from numerous criteria and the performance of rapid searches. This service, based on the chemistry information toolkit CACTVS, provides complex Boolean searches. Flexible substructure searches have also been implemented. Users can conduct 3D pharmacophore queries in up to 25 conformations pre-calculated for each compound. Numerous output formats as well as 2D and 3D visuaHzation options are supplied. It is possible to export search results in various forms and with choices for data contents in the exported files, for structure sets ranging in size from a single compound to the entire database. Additional information and down-loadable files (in various formats) can be obtained from this service. 

U.S. Environmental Protection Agency (USEPA). 1995b. Water quality standards establishment of numeric criteria for priority toxic pollutants states compliance — revision of metals criteria. Fed. Reg. 60 (86) 22229-22237. 

Numerous criteria for arsenic have been proposed to protect natural resources and human health (Table 28.7). But many authorities recognize that these criteria are not sufficient for adequate or (in some cases) reasonable protection, and that many additional data are required if meaningful standards are to be promulgated (NAS 1977 NRCC 1978 Pershagen and Vahter 1979 USEPA 1980, 1985 Eisler 1994 Abernathy et al. 1997 SEGH1998). Specifically, data are needed on the following subjects ... 

Second-order and third-order results often bracket the true correction to pF - Three schemes that scale the third-order terms in various ways are known as the Outer Valence Green s Function (OVGF) [8], In OVGF calculations, one of these three recipes is chosen as the recommended one according to rules based on numerical criteria. These criteria involve quantities that are derived from ratios of various constituent terms of the self-energy matrix elements. Average absolute errors for closed-shell molecules are somewhat larger than for P3 [31]. 

UT Div. Drink. Water 1998. Standards of quality for waters of the state Numeric criteria. Utah Division of Drinking Water, Department of Environmental Quality. R317-2-14. 

CA Water Quality Standards Establishment of Numeric Criteria for Priority Toxic Pollutants for the State of California—Porposed rulex Yes... 

One of the major sources of confusion around dopamine receptor originated with the idea that the increase of the cyclic AMP production by dopamine is a physiological effect of dopamine (2) starting from this viewpoint, it is not necessary to try to correlate the data obtained in vitro with physiological effects in vivo. In fact, the stimulation of cyclic AMP by dopamine is a biochemical effect for which one needs to find a physiological response in vivo. Just because an enzyme is stimulated or inhibited by a given neurotransmitter does not ipso-facto prove that such a process is involved in neurotransmission. As we will see further, numerous criteria must be fulfilled before an enzyme or a binding site may be called a receptor site. 

The numerical criteria given above (for deciding when the calculated ratio is large enough to justify discarding a datum) are specifically for qua-... 

Nothing in this section was to be construed to limit or delay the use of effluent limitations or other permit conditions based on or involving biological monitoring or assessment methods or previously adopted numerical criteria. 

Two tests are available to ensure that the equations of motion are solved correctly in an MD simulation. The first test assesses the conservation of energy. In the absence of terms explicitly dependent on time, the Hamiltonian of the system must be a conserved quantity, and integrating Newton s equations of motion should conserve the total energy of the system E. In fact, small fluctuations of the energy will result from the finite difference approach and round-off errors. Numerical criteria often used for the energy fluctuations are... 

It is not possible to assign rankings to these qualitative factors, but they may be as important as the quantitative measures when making an investment decision. Attempts to present numerical criteria to rank these qualitative measures have been subjective and unsuccessful. 

Major advantages of numerical criteria lie in their easy application and amendment to modeling approaches. However, if criteria do not exist for certain chemicals of concern, a biological test may still be required. In addition some equilibrium modeling approaches will fail if tissue concentration and toxicity is independent (Chapman et al., 1987). 

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