Identification of drug metabolites in human plasma or serum integrating metabolite prediction, LC–HRMS and untargeted data processing

Automatic Chemical Structure Annotation of an LC–MSn Based Metabolic Profile from Green Tea

(2013) Lars Ridder et al.   ANALYTICAL CHEMISTRY

Importance of highly selective LC–MS/MS analysis for the accurate quantification of tamoxifen and its metabolites: focus on endoxifen and 4-hydroxytamoxifen

(2012) N. G. L. Jager et al.   BREAST CANCER RESEARCH AND TREATMENT

Progressing preclinical drug candidates: strategies on preclinical safety studies and the quest for adequate exposure

(2012) John Higgins et al.   DRUG DISCOVERY TODAY

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

(2012) Johannes Kirchmair et al.   Journal of Chemical Information and Modeling

Substructure-based annotation of high-resolution multistage MSnspectral trees

(2012) Lars Ridder et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Use of relative 12C/14C isotope ratios to estimate metabolite concentrations in the absence of authentic standards

(2012) Filip Cuyckens et al.   Bioanalysis

Analytical Strategies for Assessment of Human Metabolites in Preclinical Safety Testing

(2011) Shuguang Ma et al.   ANALYTICAL CHEMISTRY

Tamoxifen Metabolite Concentrations, CYP2D6 Genotype, and Breast Cancer Outcomes

(2011) L Madlensky et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Metabolism and Disposition of [14C]Brivanib Alaninate after Oral Administration to Rats, Monkeys, and Humans

(2011) J. Gong et al.   DRUG METABOLISM AND DISPOSITION

Evaluation of relative LC/MS response of metabolites to parent drug in LC/nanospray ionization mass spectrometry: potential implications in MIST assessment

(2011) Simone Schadt et al.   JOURNAL OF MASS SPECTROMETRY

Investigational study of tamoxifen phase I metabolites using chromatographic and spectroscopic analytical techniques

(2011) S.F. Teunissen et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Radiolabelled mass-balance excretion and metabolism studies in laboratory animals: are they still necessary?

(2011) R. Scott Obach et al.   XENOBIOTICA

Bioanalytical methods for determination of tamoxifen and its phase I metabolites: A review

(2010) S.F. Teunissen et al.   ANALYTICA CHIMICA ACTA

Metabolism, Excretion, and Pharmacokinetics of [14C]INCB018424, a Selective Janus Tyrosine Kinase 1/2 Inhibitor, in Humans

(2010) A. D. Shilling et al.   DRUG METABOLISM AND DISPOSITION

Disposition of [1'-14C]Stavudine after Oral Administration to Humans

(2010) L. Zhou et al.   DRUG METABOLISM AND DISPOSITION

Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans

(2010) L. J. Christopher et al.   DRUG METABOLISM AND DISPOSITION

Metabolism and Disposition of 14C-Labeled Peliglitazar in Humans

(2010) L. Wang et al.   DRUG METABOLISM AND DISPOSITION

Disposition and Metabolism of [14C]SB-649868, an Orexin 1 and 2 Receptor Antagonist, in Humans

(2010) C. Renzulli et al.   DRUG METABOLISM AND DISPOSITION

Excretion and Metabolism of Lersivirine (5- benzene-1,3-dicarbonitrile), a Next-Generation Non-Nucleoside Reverse Transcriptase Inhibitor, after Administration of [14C]Lersivirine to Healthy Volunteers

(2010) M. Vourvahis et al.   DRUG METABOLISM AND DISPOSITION

Metabolite identification by liquid chromatography-mass spectrometry

(2010) Bhagwat Prasad et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

A radiocalibration method with pseudo internal standard to estimate circulating metabolite concentrations

(2010) Ping Yi et al.   Bioanalysis

A Holistic Strategy for Characterizing the Safety of Metabolites through Drug Discovery and Development

(2009) Don Walker et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Identification of a Novel N-Carbamoyl Glucuronide: In Vitro, In Vivo, and Mechanistic Studies

(2009) M. Gunduz et al.   DRUG METABOLISM AND DISPOSITION

Metabolic Disposition of [14C]Bazedoxifene in Healthy Postmenopausal Women

(2009) A. Chandrasekaran et al.   DRUG METABOLISM AND DISPOSITION

Comparative Metabolism of 14C-Labeled Apixaban in Mice, Rats, Rabbits, Dogs, and Humans

(2009) D. Zhang et al.   DRUG METABOLISM AND DISPOSITION

In silicomethods for predicting metabolism and mass fragmentation applied to quetiapine in liquid chromatography/time-of-flight mass spectrometry urine drug screening

(2009) Anna Pelander et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Metabolites in safety testing

(2009) Timothy W Robison et al.   Bioanalysis

SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites

(2008) Lars Ridder et al.   ChemMedChem

Absorption, Metabolism, and Excretion of [14C]Vildagliptin, a Novel Dipeptidyl Peptidase 4 Inhibitor, in Humans

(2008) H. He et al.   DRUG METABOLISM AND DISPOSITION

Metabolic Soft Spot Identification and Compound Optimization in Early Discovery Phases Using MetaSite and LC-MS/MS Validation

(2008) Markus Trunzer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Idiosyncratic Drug Reactions: Past, Present, and Future

(2007) Jack Uetrecht   CHEMICAL RESEARCH IN TOXICOLOGY