Recursive partitioning for the prediction of cytochromes P450 2D6 and 1A2 inhibition : Importance of the quality of the dataset
- Author
- BURTON, Julien1 ; IJJAALI, Ismail2 ; BARBERAN, Olivier2 ; PETITET, Francois2 ; VERCAUTEREN, Daniel P1 ; MICHEL, André2
[1] Laboratoire de Physico-Chimie Informatique, Facultés Universitaires Notre-Dame de la Paix, 61 rue de Bruxelles, 5000 Namur, Belgium
[2] Aureus-Pharma, 174 quai de Jemmapes, 75010 Paris, France - Source
Journal of medicinal chemistry (Print). 2006, Vol 49, Num 21, pp 6231-6240, 10 p ; ref : 43 ref
- CODEN
- JMCMAR
- ISSN
- 0022-2623
- Scientific domain
- Pharmacology drugs
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Arbre décision Classification Criblage haut débit Cytochrome P450 Drug-metabolizing enzyme Filtrage récursif Inhibition Isozyme Lipophilie Modèle moléculaire Modélisation Médicament Pharmacocinétique Propriété physicochimique Prédiction Recherche développement Unspecific monooxygenase ADME Cytochrome CYP1A2 Cytochrome CYP2D6 Enzyme Oxidoreductases
- Keyword (en)
- Decision tree Classification High throughput screening Cytochrome P450 Drug-metabolizing enzyme Recursive filtering Inhibition Isozyme Lipophilicity Molecular model Modeling Drug Pharmacokinetics Physicochemical properties Prediction Research and development Unspecific monooxygenase Absorption Distribution Metabolisme Excretion Enzyme Oxidoreductases
- Keyword (es)
- Arbol decisión Clasificación Cribado alta productividad Citocromo P450 Drug-metabolizing enzyme Filtrado recursivo Inhibición Isozima Lipofilia Modelo molecular Modelización Medicamento Farmacocinética Propiedad fisicoquímica Predicción Investigación desarrollo Unspecific monooxygenase Enzima Oxidoreductases
- Classification
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02W Miscellaneous
- Discipline
- General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 18193082
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jm060267u 
https://dx.doi.org/10.1021/jm060267u
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