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The wealth of analytical information that is generated every day in R&D organizations can provide rich insights, even months after the initial acquisition of data. With this increase in data, however, comes a significant challenge to combine, organize, access, visualize, and mine these informational repositories. In addition to the challenges of the growing volume and...

Se você está envolvido no Desenvolvimento de Novos Fármacos, este Webinar é para você. O desenvolvimento de processos farmacêuticos envolve grupos multidisciplinares de químicos e analistas cujo objetivo é produzir Ingrediente(s) Farmacêutico(s) Ativo(s) – IFAs de acordo com a rota mais econômica e eficiente, garantindo a segurança do produto por meio de medidas eficazes de...

Imad Haidar Ahmad and colleagues at Merck present multifactorial peak crossover (MPC)—a new technique to quickly isolate peaks of interest. Using computer-assisted chromatographic modelling, the separation landscape is mapped and conditions that change peak-elution orders are found. Peaks of interest can be quickly shifted to convenient areas of the chromatogram, dramatically reducing the time spent...

The first efforts for the development of methods for Computer-Assisted Structure Elucidation (CASE) were published more than 50 years ago. CASE expert systems based on one-dimensional (1D) and two-dimensional (2D) Nuclear Magnetic Resonance (NMR) data have matured considerably by now. The structures of a great number of complex natural products have been elucidated and/or revised using...