We review the prominent technologies in virtual screening, and their applications in drug discovery.

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Allosteric modulators have the potential to fine-tune protein functional activity. Therefore, the targeting of allosteric sites, as a strategy in drug design, is gaining increasing attention. Currently, it is not trivial to find and characterize new allosteric sites by experimental approaches. Alternatively, computational approaches are useful in helping researchers analyze and select potential...

In this paper, we review AI research on computational discovery and its recent application to the discovery of new scientiic knowledge. We characterize ve historical stages of the scientiic discovery process, which we use as an organizational framework in describing applications. We also identify ve distinct steps during which developers or users can innuence the behavior of a computational dis...

R&D portfolio management is a critical task with which the majority of the large companies are confronted. Despite its wide implementation in companies there are no widely accepted and used methods to perform this task. Each company uses its own mix of various qualitative and quantitative methods to achieve its goal. The objective of this thesis is to explore the adequacy and the design issues ...