Search Results - "Barker, Edward J"

Scaffold Hopping Using Clique Detection Applied to Reduced Graphs by Barker, Edward J, Buttar, David, Cosgrove, David A, Gardiner, Eleanor J, Kitts, Paula, Willett, Peter, Gillet, Valerie J

“…Similarity-based methods for virtual screening are widely used. However, conventional searching using 2D chemical fingerprints or 2D graphs may retrieve only…”
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Further Development of Reduced Graphs for Identifying Bioactive Compounds by Barker, Edward J, Gardiner, Eleanor J, Gillet, Valerie J, Kitts, Paula, Morris, Jeff

“…Reduced graphs provide summary representations of chemical structures. Here, a variety of different types of reduced graphs are compared in similarity…”
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