Classification of CYP450 1A2 inhibitors using PubChem data
نویسندگان
چکیده
منابع مشابه
Classification of CYP450 1A2 inhibitors using PubChem data
Cytochromes P450 (CYP450) are a superfamily of enzymes, involved in metabolism of a large number of xenobiotic compounds. CYP450 are involved in degradation of a large amount of drugs, currently present on the market. The promiscuity with respect to substrates makes the CYP450 enzymes prone to inhibition by a large amount of drugs, which gives way to clinically significant drug-drug interaction...
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15 صفحه اولClassification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques.
The cytochrome P450 (P450) superfamily plays an important role in the metabolism of drug compounds, and it is therefore highly desirable to have models that can predict whether a compound interacts with a specific isoform of the P450s. In this work, we provide in silico models for classification of CYP1A2 inhibitors and noninhibitors. Training and test sets consisted of approximately 400 and 70...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2010
ISSN: 1758-2946
DOI: 10.1186/1758-2946-2-s1-p40