Rodríguez-Pérez, Raquel

Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions

Rodríguez-Pérez, R., & Bajorath, J. (2020) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsExplainable Artificial Intelligence (XAI)

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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds

Bajorath, J., Chávez-Hernández, A. L., Duran-Frigola, M., Fernández-de Gortari, E., Gasteiger, J., López-López, E., Maggiora, G. M., Medina-Franco, J. L., Méndez-Lucio, O., Mestres, J., et al. (2022) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 38

Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

Bajorath, J., Chávez-Hernández, A. L., Duran-Frigola, M., Fernández-de Gortari, E., Gasteiger, J., López-López, E., Maggiora, G. M., Medina-Franco, J. L., Méndez-Lucio, O., Mestres, J., et al. (2022) · Journal of Cheminformatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 37