Defining the Applicability Domain of QSAR models: An overview
نویسنده
چکیده
QSARs establish a quantitative relationship between chemical structures and their properties [1]. In theory, QSAR models can be used to predict the properties of chemical structures, provided their structural information is available. In the recent years, there had been a growing awareness about QSARs and their applications. This is quite evident from their use for regulatory purposes. A new European legislation on chemicals – REACH (Registration, Evaluation, Authorization and restriction of Chemicals) came into force in 2007, allows and encourages the use of QSAR model predictions when the experimental data are not sufficiently available or as supplementary information, provided validity of the model is justified [2,3].
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