i Drug: a web-accessible and interactive drug discovery and design platform
Journal of Cheminformatics(2014)
摘要
The progress in computer-aided drug design (CADD) approaches over the past decades accelerated the early-stage pharmaceutical research. Many powerful standalone tools for CADD have been developed in academia. As programs are developed by various research groups, a consistent user-friendly online graphical working environment, combining computational techniques such as pharmacophore mapping, similarity calculation, scoring, and target identification is needed.
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关键词
Online drug design platform,Cavity detection,Pharmacophore search,3D similarity calculation,Target prediction
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