Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning - researchr publication

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Raquel Rodríguez-Pérez, Filip Miljkovic, Jürgen Bajorath. Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning. J. Cheminformatics, 12(1):36, 2020. [doi]

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