Virtual toxicology

Toxicology Virtually no irritation potential molten wax may burn skin, cause mild upper respiratory irritation Kosteran-L/1 [Dr. W. Kolb AG]... 

The term virtual screening or in silica screening is defined as the selection of compounds by evaluating their desirability in a computational model [17]. The desirability comprises high potency, selectivity, appropriate pharmacokinetic properties, and favorable toxicology. 

Toxicological Information. The toxicity of the higher olefins is considered to be virtually the same as that of the homologous paraffin compounds. Based on this analogy, the suggested maximum allowable concentration in air is 500 ppm. Animal toxicity studies for hexene, octene, decene, and dodecene have shown Httle or no toxic effect except under severe inhalation conditions. The inhalation LD q for 1-hexene is 33,400 ppm for these olefins both LD q (oral) and LD q (dermal) are >10 g/kg. 

Acute and Chronic Toxicity. Although chromium displays nine oxidation states, the low oxidation state compounds, -II to I, all require Special conditions for existence and have very short lifetimes in a normal environment. This is also tme for most organ ochromium compounds, ie, compounds containing Cr—C bonds. Chromium compounds that exhibit stabiUty under the usual ambient conditions are limited to oxidation states II, III, IV, V, and VI. Only Cr(III) and Cr(VI) compounds are produced in large quantities and are accessible to most of the population. Therefore, the toxicology of chromium compounds has been historically limited to these two states, and virtually all of the available information is about compounds of Cr(III) and/or Cr(VI) (59,104). However, there is some indication that Cr(V) may play a role in chromium toxicity (59,105—107). Reference 104 provides an overview and summary of the environmental, biological, and medical effects of chromium and chromium compounds as of the late 1980s. 

Offers direct access to virtually all of the world s scientific and data bases for toxicology and related information. Covers chemicals, pesticides, food additives, industrial chemicals, heavy metals, environmental pollutants, and pharmaceuticals. The Center is online to more than 400 computerized databases, including DIALOG, MEDLARS, STN International, ITIS, and DROLS. It performs searches for outside users for a fee. 

One of the areas that is overlooked by virtually everyone in toxicology testing and research, yet is of crucial importance, is the use of vehicles in the formulation of test chemicals for administration to test animals. For a number of reasons, a drug of interest is rarely administered or applied as is ( neat ). Rather, it must be put in a... 

A recent review evaluating virtual screening lists in terms of predicted ADME and toxicology properties demonstrates some advantages of the integration of in silico approaches in search for viable lead structures [298]. 

Knudsen TB, Daston GP (2010) Virtual tissues and developmental systems biology. In McQueen CA (ed) Comprehensive toxicology, vol 12. Academic, Oxford, pp 347-358... 

Once the public had their attention drawn to the chemicals to which they were being exposed, it is hardly surprising that they formd plenty to worry about. There are 75,000-90,000 synthetic chemicals in use, many of which have never been a subject of intensive toxicological testing. Even fewer have been subject to thorough enviromnental impact assessments. These facts were emphasised to the public, especially by some of the NGOs. Virtually, the only time members of the public heard or read about individual chemicals in the media was when they were mentioned as part of scare stories— pesticides in food, contaminants in tap and botded water, side effects of drugs and so... 

In traditional toxicological methods of determining virtually safe doses of hazardous chemicals, nominal thresholds for deterministic responses in humans are estimated based on a NOAEL obtained in human or animal studies. In most high-quality studies, NOAEL is approximately the same as the lower confidence limit of the benchmark dose that corresponds to a 10 percent increase in the number of responses. Thus, as an alternative to the benchmark dose method, the nominal threshold in humans could be set at a factor of 10 or 100 lower than NOAEL obtained in a high-quality human or animal study. However, the benchmark dose method preferred by NCRP... 

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