Database SEVENS

The model contains a surface energy method for parameterizing winds and turbulence near the ground. Its chemical database library has physical properties (seven types, three temperature dependent) for 190 chemical compounds obtained from the DIPPR" database. Physical property data for any of the over 900 chemicals in DIPPR can be incorporated into the model, as needed. The model computes hazard zones and related health consequences. An option is provided to account for the accident frequency and chemical release probability from transportation of hazardous material containers. When coupled with preprocessed historical meteorology and population den.sitie.s, it provides quantitative risk estimates. The model is not capable of simulating dense-gas behavior. 

Bcl-2 is one of the many factors that control apoptosis, and overexpression of Bcl-2 has been observed in many different cancers. A homology model of Bcl-2 was derived from the NMR 3D structure of the Bcl-XL complex with a Bak BH3 peptide. This model served to search the NCI 3D database of 206,876 organic compounds for potential Bcl-2 inhibitors, which bind to the Bak BH3 binding site of Bcl-2. Full conformational flexibility of the ligands was taken into account in the program DOCK. Thirty-five potential inhibitors were tested, and seven of them had IC50 values from 1.6 to W.OpM. One of... 

The seven pure component properties (Eqn s 16, 17, 18,19,20,21 and 22) are considered in sub-problem 2. Out of the 2691 molecules from sub-problem 1, 10 molecules satisfied these constraints. One of the compounds 2-ethoxy ethyl acetate was found in the CAPEC database (ICAS, 2003). 

Figure 1 is a scatter plot of the MUE over Database/3 versus the cost of a gradient for all methods in tables 3-5. Notice that the abscissa spans seven decades of cost. 

WDI includes molecular structures and 2-D coordinates for most entries. Thirteen kinds of names are distinguished such as Trade Name, USANs and CAS numbers. There are seven types of pharmacological data pharmacological activity, mechanism of action, indications and usage, precautions and warnings, contraindications, adverse effects and interaction data. Two kinds of enzymes appear in the database the enzymes... 

Voigt, J. H., Bienfait, B., Wang, S., and Nicklaus, M. C. (2001) Comparison of the NCI open database with seven large chemical structural databases. J. Chem. Inf. Comput. Sci. 41, 702-712. 

SEVENS database is available for fi ee at http //sevens.cbrc.jp/. 

Fig. 2. WEB representation of SEVENS database. At the upper part (Fig. 2a), the chromosomal viewer, the phylogenetic map button, and the content search boxes are shown. Using the AND combinations of several conditions, the content search boxes retrieve GPCR genes. Selection of a query gene from these viewers or the list table navigates the user to the gene annotation information page.

GPCR genes were collected from SEVENS database, in which genes are classifred into the 57 known GPCR subfamilies, or into orphan or unknown receptor families. Table 1 shows the example case of family distribution in mammal GPCRs. 

Therefore, using SEVENS database, it is possible to cover the GPCR universe by including a larger number of accurate GPCR genes than that of previous studies. 

Currently, additional information (tertiary structure, gene regulatory regions, etc.) is required for SEVENS database. 

For all GPCRs compiled in SEVENS database, we are planning to create G-protein selectivity profiles according to information of various number of ligands (>several million). 

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