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Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.

Dragos HorvathGilles MarcouAlexandre VarnekShilva KayasthaAntonio de la Vega de LeónJürgen Bajorath
Published in: J. Chem. Inf. Model. (2016)
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