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11 May 2006
Computational modeling of biologically active molecules using NMR spectra
The molecular structure and NMR chemical shift information of a compound can be combined to form powerful models of biological activity. NMR spectral data and structure information can be combined on a structural template analogous to 3D-QSAR methodology or orientation independently in spectral space. Surprisingly, quantitative spectrometric data-activity relationship (QSDAR) models built on structure templates are inferior to multi-dimensional QSDAR models built in spectral space. 3D-QSDAR modeling could be useful for estimating chemical toxicity, risk assessment of environmental contaminants and drug lead-compound identifications.
2005
An Approach to Defining and Measuring Field-Based Medical Science Liaison Team Accountabilities
One of the persistent challenges for field-based medical programs (FBMP) across the pharmaceutical industry is the identification of transparent, relevant, and valid metrics that reflect the team's contribution to organizational business objectives.
3 December 2003
The Value of Phase IV
Investigation on the merits of phase IV trial results and postmarketing research.
Phase IV trial results can help differentiate a product from its competitors, medically support marketing objectives and messages, enhance relationships with clinical investigators and key opinion leaders, increase physician exposure to a new drug, answer scientific questions, and provide other helpful information for multiple stake holders such as patients, physicians, managed care, and disease groups.
October 2002
3D-QSDAR Models of Polychlorinated Dibenzodioxins, Dibenzofurans, and Biphenyls Binding to the AhR
Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhR.
Sep 2002
Comparative structural connectivity spectra analysis (CoSCoSA) models of steroid binding to the corticosteroid binding globulin.
1 July 2002
A method that combines NMR spectral and structural information into a constructed three-dimensional (3D)-connectivity matrix is developed for modeling biological binding activity of small molecules. The 3Dconnectivity matrix for a molecule is defined by associating the distances between all possible carbon-to-carbon connections with their assigned carbon NMR chemical shifts.
17 August 2000
13C NMR and Electron Ionization Mass Spectrometric Data-Activity Relationship Model of Estrogen Receptor Binding
13C NMR and Electron Ionization Mass Spectrometric Data- Activity Relationship Model of Estrogen Receptor Binding.
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