The use of quantum chemistry in the prediction of ADME-Tox properties
نویسندگان
چکیده
ADME-Tox properties are very important in pharmaceutical research, determining the fate of many molecules in the drug design sequence. Knowledge of ADME-Tox properties in the earliest stages of drug design is therefore highly desirable. The aim of this investigation is to construct low throughput in silico QSAR models in which ADME-Tox properties of single compounds are predicted with high accuracy based on Quantum Chemical information [1].
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عنوان ژورنال:
دوره 2 شماره
صفحات -
تاریخ انتشار 2008