Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions

Raquel Rodríguez-Pérez, Jürgen Bajorath. Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions. Journal of Computer-Aided Molecular Design, 35(3):285-295, 2021. [doi]

Authors

Raquel Rodríguez-Pérez

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Jürgen Bajorath

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