Tools for Predictions and Modeling

ACToR (www.ACTOR.EPA.gov). ACToR stunds for Aggregated Computational Toxicology Resource and is a data warehouse maintained by the EPA. ACToR incorporates many specialized databases within the EPA including ToxRefDB (animal 

Due to its central role in toxicant metabolism, the liver is one of the first organs being constructed in the Virtual Tissue Research Project. Physiologically based pharmacokinetic modeling, cellular systems, and molecular networks are integrated to mimic the multitude of activities performed by the liver. Once completed, this innovative project will be an invaluable resource for accessible, accurate, and responsible prediction of liver toxicity. 

Another virtual tissue model being developed is the v-embryo. This simulation investigates teratogenesis, or the production of birth defects, resulting from chemical exposures in a pregnant woman. The model is being constructed largely from zebrafish 

Stitch (www. stitch. embl. de). STITCH is a free online tool that takes information from experiments, literature, and other databases to map connections between chemicals and proteins. The user may choose how many intermediary compounds are allowable between the input components. The networks indicate by color what type of relationship has been identified between two compounds (e.g., inhibitory, cofactor, activation). Conveniently, these networks may be exported. Each relationship and compound may be clicked on to reveal the source of information. In this way, the user may have access to and evaluate the strength of the supporting data. STITCH is a simple way to find and illustrate chemical and physiological interactions. 

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In Section 7.12.2 the point of departure is the properties of the atoms in Section 7.12.3 it is the bulk material. Tools for predicting and modeling charge-transfer processes are developed in... 

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