TRANSPORT database

Yan, Q. and W. Sadee. Human membrane transporter database a Web-accessible relational database for drug transport studies and pharma-cogenomics. AAPS PharmSci. 2000, 2, E20. 

Morrissey KM, Wen CC, Johns SJ, Zhang L, Huang SM, Giacomini KM. 2012. The UCSF-FDA TransPortal a public drug transporter database. Clin Pharmacol Ther 92(5) 545-546. 

Sedykh A, Fourches D, Duan J et al (2013) Human intestinal transporter database QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res 30 996-1007. doi 10.1007/sl 1095-012-0935-x... 

An optimized mechanism for homogeneous combustion of C1-C3 species by Qin et al. (70 species, 14 irreversible and 449 reversible reactions) [2] was employed for modeling gas-phase chemistry. Thermodynamic data were included in the provided scheme. Surface and gas-phase reaction rates were evaluated with Surface-CHEMKIN [3] and CHEMKIN [4] respectively. Mixture-average difihi-sion was the transport model, using the CHEMKIN transport database [5]. 

This database provides thermophysical property data (phase equilibrium data, critical data, transport properties, surface tensions, electrolyte data) for about 21 000 pure compounds and 101 000 mixtures. DETHERM, with its 4.2 million data sets, is produced by Dechema, FIZ Chcmic (Berlin, Germany) and DDBST GmhH (Oldenburg. Germany). Definitions of the more than SOO properties available in the database can be found in NUMERIGUIDE (sec Section 5.18). 

Specific reactor characteristics depend on the particular use of the reactor as a laboratory, pilot plant, or industrial unit. AH reactors have in common selected characteristics of four basic reactor types the weH-stirred batch reactor, the semibatch reactor, the continuous-flow stirred-tank reactor, and the tubular reactor (Fig. 1). A reactor may be represented by or modeled after one or a combination of these. SuitabHity of a model depends on the extent to which the impacts of the reactions, and thermal and transport processes, are predicted for conditions outside of the database used in developing the model (1-4). 

Values calculated from NIST Thermodynamic Properties of Refrigerants and Refrigerant Mixtures Database (REFPROP, Version 5). Thermodynamic properties are from. 32-term MBWR equation of state transport properties are from extended corresponding states model, t = triple point c = critical point. 

Tracks waste from collection to treatment. Database of 2,600 common chemicals which provides the EPA number for each chemical, DOT classiHcation for hazardous waste transport, and permit information. Templates for all required fornts, labels, and notices. 

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. 

The CESARS database contains comprehensive environmental and health information on chemicals. It provides detailed descriptions of chemical toxicity to humans, mammals, aquatic and plant life, as well as data on physical chemical properties, and environmental fate and persistence. Each record consists of chemical identification information and provides descriptive data on up to 23 topic areas, ranging from chemical properties to toxicity to environmental transport and fate. Records are in English. Available online through CCINFOline from the Canadian Centre For Occupational Health and Safety (CCOHS) and Chemical Information System (CIS) on CD-ROM through CCIN-FOdisc. 

This technique is the longest established of all the human reliability quantification methods. It was developed by Dr. A. D. Swain in the late 1960s, originally in the context of military applications. It was subsequently developed further in the nuclear power industry. A comprehensive description of the method and the database used in its application, is contained in Swain and Guttmann (1983). Further developments are described in Swain (1987). The THERP approach is probably the most widely applied quantification technique. This is due to the fact that it provides its own database and uses methods such as event trees which are readily familiar to the engineering risk analyst. The most extensive application of THERP has been in nuclear power, but it has also been used in the military, chemical processing, transport, and other industries. 

U.S. Department of Transportation, Federal Transit Administration (1999). National Transit Database 1997. Washington, DC Author, . 

MetaDrug Metabolism database. Metabolite prediction. Metabolite prioritization, QSAR models for enzymes, transporters and network building algorithms for Systems-ADME/Tox www.genego.com... 

A CRO may also allow for the in-house introduction of specialized lipophilic scales by transferring routine measurements. While the octanol-water scale is widely applied, it may be advantageous to utilize alternative scales for specific QSAR models. Solvent systems such as alkane or chloroform and biomimetic stationary phases on HPLC columns have both been advocated. Seydel [65] recently reviewed the suitabihty of various systems to describe partitioning into membranes. Through several examples, he concludes that drug-membrane interaction as it relates to transport, distribution and efficacy cannot be well characterized by partition coefficients in bulk solvents alone, including octanol. However, octanol-water partition coefficients will persist in valuable databases and decades of QSAR studies. 

Each data point must be transferred from data sheets into spreadsheets or databases. Verification of each datum should be performed by an individual who did not enter the data being verified. Audits of each phase of the study should be performed (i.e. preparation of collection forms, application calibration, each type of sample collection, sample transport, each type of chemical analysis, data recording, data entry, data verification and data storage). 

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