Expedient data mining for nontargeted high-resolution LC–MS profiles of biological samples

Highly Accurate Chemical Formula Prediction Tool Utilizing High-Resolution Mass Spectra, MS/MS Fragmentation, Heuristic Rules, and Isotope Pattern Matching

(2012) Tomáš Pluskal et al.   ANALYTICAL CHEMISTRY

Metabolomics and Its Practical Value in Pharmaceutical Industry

(2012) Ru Wei   CURRENT DRUG METABOLISM

The Current Status of Metabolomics in Drug Discovery and Development

(2012) Donald G. Robertson et al.   DRUG DEVELOPMENT RESEARCH

Automated and unbiased analysis of LC–MS metabolomic data

(2012) Serhiy Hnatyshyn et al.   Bioanalysis

Metabolomic and Transcriptomic Changes Induced by Overnight (16 h) Fasting in Male and Female Sprague−Dawley Rats

(2011) Donald G. Robertson et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Easy and accurate high-performance liquid chromatography retention prediction with different gradients, flow rates, and instruments by back-calculation of gradient and flow rate profiles

(2011) Paul G. Boswell et al.   JOURNAL OF CHROMATOGRAPHY A

Understanding and Classifying Metabolite Space and Metabolite-Likeness

(2011) Julio E. Peironcely et al.   PLoS One

HILIC-UPLC-MS for Exploratory Urinary Metabolic Profiling in Toxicological Studies

(2010) Konstantina Spagou et al.   ANALYTICAL CHEMISTRY

The correspondence problem for metabonomics datasets

(2009) K. Magnus Åberg et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Normalization strategies for metabonomic analysis of urine samples

(2009) Bethanne M. Warrack et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES