We are witnessing the emergence of a web based “data rich” era on chemical and biological compounds. In order to make significant advances in this “data rich” era, it is essential that there be techniques that allow interoperable annotation, query, and analysis across diverse data; a plug-and-play scalable annotation and adoptive query tool environments that facilitates seamless interplay of tools and data; and versatile user interfaces that allows researchers to annotate, visualize and present the results of analysis in the most intuitive and user-friendly manner.
The principal difficulty in searching data on compounds is that structural features of interest to a user often cannot be defined (and indexed) in advance due to the natural complexity of structure/property relations, which can depend on discipline, task and user. The goal is to develop adaptive, automated method of processing and presenting Biological and Chemical data using connection tables that are sufficiently flexible and easy-to-use and allow users to find, with confidence, information for the most structurally-relevant data used in structure-based drug design.
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