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This new preparative 2D LC LC/MS system is therefore the ideal tool for medicinal chemistry lab in drug discovery environment.
We have developed an infrastructure Atmospheric Data Discovery System (ADDS)–that provides an efficient data discovery environment for observational datasets in the atmospheric sciences.
As a case study to demonstrate the use of RiceCyc network as a discovery environment we carried out an integrated bioinformatic analysis of rice metabolic genes that are differentially regulated under diurnal photoperiod and biotic stress treatments.
More importantly, these experiments demonstrated that nanosuspension formulations can be used to enhance exposure of compounds with low solubility and poor pharmacokinetic characteristics for early decision-making in a drug discovery environment.
Within the drug discovery environment, the key process in optimising the chemistry of a structural series toward a potential drug candidate is the design, make and test cycle, in which the primary screens consist of a number of in vitro assays, including metabolic stability, cytochrome P450 inhibition, and time-dependent inhibition assays.
All of the data presented in this study can be found and re-analyzed via the iPlant Discovery Environment (DE).
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The tools that scientists use in their search processes together form so-called discovery environments.
We will describe the future computer-supported discovery environments that may result, and illustrate by means of a realistic scenario how scientists come to new discoveries in these environments.
In order to make the step from the current generation of discovery tools to computer-supported discovery environments like the one presented in the scenario, developers should realize that such environments are large-scale sociotechnical systems.
In order to help developers of discovery programs in achieving the integration of their tools in discovery environments, we will formulate a set of guidelines that developers could follow.
The promise of artificial intelligence and other branches of computer science is to radically transform conventional discovery environments by equipping scientists with a range of powerful computer tools including large-scale, shared knowledge bases and discovery programs.
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