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Speeding the Iterative Drug Design process

November 18, 2011

In this paper, we explore the issues in the effective use of modern pharmaceutical data mining applications. We discuss the development and capabilities that were built into the Discovery 360° application to address these issues, as part of Wyeth Pharmaceuticals Next Generation IT project (NextGen). Wyeth found that simplifying data access and integration of data analysis and collaboration tools, improves both the quality and effectiveness of discovery research and best leverages the intellectual assets of the scientific team.

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Application Notes

Prediction of affinity target profiles with PredictFX

November 18, 2011

Safety is one of the key issues in drug discovery and development. Drugs carry the risk to produce unwanted side effects through interactions with multiple targets that could potentially harm the patient1. Hence, it is crucial to know in advance about the targets that a drug is interacting with. This application note describes how you can assess the target profile of a particular compound using PredictFX™, a new modeling and simulation program that provides improved opportunities to identify, monitor, and address safety issues earlier in the process by predicting the off-target pharmacology of a drug lead compound from its 2D chemical structure.

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