Evaluation of Three State-of-the-Art Metabolite Prediction Software Packages (Meteor, MetaSite, and StarDrop) through Independent and Synergistic Use

The aim of this study was to evaluate three different metabolite prediction software packages (Meteor, MetaSite, and StarDrop) with respect to their ability to predict loci of metabolism and suggest relative proportions of metabolites. A chemically diverse test set of 22 compounds, for which in vivo...

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Veröffentlicht in:	Drug metabolism and disposition 2011-11, Vol.39 (11), p.2066-2075
Hauptverfasser:	T'JOLLYN, H, BOUSSERY, K, MORTISHIRE-SMITH, R. J, COE, K, DE BOECK, B, VAN BOCXLAER, J. F, MANNENS, G
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological and medical sciences Computer Simulation Drug Synergism Humans Inactivation, Metabolic Medical sciences Pharmaceutical Preparations - metabolism Pharmacokinetics Pharmacology. Drug treatments Sensitivity and Specificity Software Structure-Activity Relationship
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