Prediction of Mass Spectral Response Factors from Predicted Chemometric Data for Druglike Molecules

Using the partial least squares method to model the electrospray ionization response produced by small pharmaceutical molecules in positive mode

(2015) Varvara J. Mandra et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Application of high-performance liquid chromatography with charged aerosol detection for universal quantitation of undeclared phosphodiesterase-5 inhibitors in herbal dietary supplements

(2013) Magdalena Poplawska et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Composition and Quantitation of Microalgal Lipids by ERETIC 1H NMR Method

(2013) Genoveffa Nuzzo et al.   Marine Drugs

Virtual Quantification of Metabolites by Capillary Electrophoresis-Electrospray Ionization-Mass Spectrometry: Predicting Ionization Efficiency Without Chemical Standards

(2009) Kenneth R. Chalcraft et al.   ANALYTICAL CHEMISTRY

Determination of relative response factors for chromatographic investigations using NMR spectrometry

(2009) Gregory K. Webster et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Accurate Benchmark Calculations on the Gas-Phase Basicities of Small Molecules

(2009) Xiao He et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Using multivariate statistical methods to model the electrospray ionization response of GXG tripeptides based on multiple physicochemical parameters

(2009) M. A. Raji et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

A Universal Approach to Solvation Modeling

(2008) Christopher J. Cramer et al.   ACCOUNTS OF CHEMICAL RESEARCH

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation