These techniques are adapted from chemoinformatics to be applied in the design of new medicinal compounds. An investigation of the degree to which it is possible to formulate a more rigorous definition of scaffolds and hopping in the context of molecular topologies is considered. In this paper, the current statuses of scaffolds and scaffold hopping are reviewed based on published examples of scaffold hopping from the literature. However, this leaves the paradox of how to describe both scaffold similarity and dissimilarity simultaneously. In the latter, the scaffolds must permit a similar geometric arrangement of functional groups to permit the mode of action. Essentially, it is agreed that scaffolds should be substantially different from each other, although significantly similar to each other, to constitute a hop. It follows, therefore, that the definition of scaffold hopping and, more importantly, the detection of what constitutes a scaffold hop, is also ill-defined and highly subjective. However, this is far from the case with the definition of a scaffold being highly dependent on the particular viewpoint of a given scientist. Title: On Scaffolds and Hopping in Medicinal ChemistryĪbstract: The molecular scaffold is an oft-cited concept in medicinal chemistry suggesting that the definition of what makes a scaffold is rigorous and objective. Keywords: Scaffold, scaffold hopping, markush, isofunctional, lead hopping, chemoinformatics It covers all walking-working surfaces unless specifically excluded by an individual section of this subpart. This subpart applies to all general industry workplaces. However, this is far from the case with the definition of a scaffold being highly dependent on the particular viewpoint of a given scientist. Walking-Working Surfaces Standard Number: 1910.21 Title: Scope and definitions. The molecular scaffold is an oft-cited concept in medicinal chemistry suggesting that the definition of what makes a scaffold is rigorous and objective.
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