Evaluation tools investigative research

It is important that antimicrobial products be evaluated for efficacy. There are a number of ways to perform these evaluations using quantitative research designs and statistical models. It is also vital that investigators be familiar with a selection of qualitative designs. This will prevent the researcher who has only one tool— a hammer—from viewing everything as a nail. 

Research users need full access to the functional elements of the spectrometer system and require the most efficient and flexible tools for MR sequence and application development. If the measurement methods delivered with the software do not adequately address the specific investigational requirements of a research team, modem NMR software is an open architecture for implementing new and more sophisticated functionality, with full direct access to all hardware controlling parameters. After evaluation, the new functionality can be developed with the help of toolbox functions that allow rapid prototyping and final builds, to enable the new sequence to be executed by non-experienced personnel and then used in routine applications. These toolboxes provide application oriented definitions and connect to standard mechanisms and routine interfaces, such as the geometry editor, configuration parameters or spectrometer adjustments. 

At Lilly we have focused on predictive accuracy in most of our project work. Predictive accuracy and interpretability tend to be inversely proportional. An active area of research at Lilly is an investigation of the question of ways in which the model can help us design a better molecule. This may involve interpretation, and there are excellent tools that can be used for this, such as partial dependence plots. It can also be approached through virtual screening—a scientist proposes a scaffold or series and the model provides an evaluation of the prospects of that idea. 

As IMPROVE starts by investigating and evaluating industrial processes from engineering and labor research perspectives before tool development is started, there is a high probability that the new functionality is accepted by the design team. 

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