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» Feature Construction for Back-Propagation
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ICML
2007
IEEE
15 years 10 months ago
An integrated approach to feature invention and model construction for drug activity prediction
We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
David Page, Jesse Davis, Soumya Ray, Vítor ...