What are in silico methods?
Alternative methods -
methods for testing toxicity which can (i) replace animal testing or (ii) reduce it or (iii) refine it to reduce animal suffering (the ‘three Rs’).
substances either occurring naturally or purified or manufactured by industry, which can range from being harmless to being highly toxic. Some chemicals are the constituent parts of familiar things in our daily lives such as cleaning agents; others are used in agriculture and in the manufacture, packaging and distribution of daily objects from computer screens to medication.
the use of QSAR models is an important example of in silico methods. Quantitative Structure- Activity Relationship models correlate the properties and molecular structure of a chemical with its biological effect on human health and/or on relevant species in an ecosystem. The correlation can then be used in the prediction and assessment of new substances. QSAR / in silico methods are applicable to organic (carbon-based) compounds, not to inorganic substances.
the potential of a chemical substance to cause damage to humans and/or the environment.
What makes a good QSAR model?
Are QSAR models expensive, or free to use?
Are QSAR models available for all endpoints?
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