Interactive Discriminative Mining of Chemical Fragments


Structural activity prediction is one of the most important tasks in chemoinformatics. The goal is to predict a property of interest given structural data on a set of small compounds or drugs. Ideally, systems that address this task should not just be accurate, they should also be able to identify an interpretable discriminative structure which describes… (More)
DOI: 10.1007/978-3-642-21295-6_10


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