Data management physicochemical properties

METEOR S biotransformation rules are generic reaction descriptors, and the versatile structural representation used in the system allows each atom or bond to have specific physicochemical properties. This approach provides more details than simple hard-coded functional group descriptors (313), but this flexibility also can give rise to an avalanche of data. METEOR manages the amount of data by predicting which metabolites are to be formed rather than all the possible outcomes (310,312,314,315). At high certainty levels, when chosen, only the more likely biotransformations are requested. At lower likelihood levels, the more common metabolites are also selected for examination. Currently, METEOR knowledge-based biotransformations are exclusively for mammalian biotransformations (phase I and phase II) (314,315). 

Step 3. If the decision in Step 2 is to proceed with fifing an application for an LVE or LoREX exemption, the MRC shall gather information sufficient to describe the substance s chemical identity, physicochemical properties, manufacturing, processing and use information, test data, other data, and optional pollution prevention information. The MRC shall request information from the Product Manager, Production Manager, suppliers in the case of LVE or LoREX substances to be imported, suppliers and manufacturers of precursors and in-house or external chemists as necessary to conclusively determine... 

Numeric databases primarily contain numeric data on chemical compounds, such as physicochemical values and the results of series of measurements. Therefore, the files correspond to printed tables of numeric property data. Since the attributes of numeric data are different from those of text data, the search has to be managed... 

A risk assessment for explosivity, oxidising properties and flammability is required unless none of the product s constituents possess such properties, and, in addition, that on the basis of information available the product is unlikely to present dangers of this kind. Due to the type and nature of the studies conducted under the physicochemical data requirements section (see Tables 1 and 2 for a list of the required studies on the active substance and 23 product types to fulfill the BPD), a physico-chemical risk assessment on a particular product is usually qualitative and is based solely on the intrinsic hazards of the constituents. Therefore, the outcome of a physicochemical risk assessment usually relies on the eventual classification of the product for physical and chemical characteristics and this then leads directly to risk management proposals. 

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