Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles
Mathias Wawer,David Jaramillo,Kejie Li,Sigrun Gustafsdottir,Vebjorn Ljosa,Nicole Bodycombe,Melissa Parkin,Katherine Sokolnicki,Mark-Anthony Bray,Ellen Winchester,George Grant,Cindy Hon,Jeremy Duvall,Joshua Bittker,Vlado Dancik,Rajiv Narayan,Aravind Subramanian,Wendy Winckler,Todd Golub,Anne Carpenter,Stuart Schreiber,Alykhan Shamji,Juergen Bajorath,Paul Clemons SLAS DISCOVERY（2014）
关键词
structure-activity relationships,small-molecule profiling,high-content screening,frequent-itemset mining,association-rule mining
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