Jiménez-Luna, José

Drug discovery with explainable artificial intelligence

Jiménez-Luna, J., Grisoni, F., & Schneider, G. (2020) · Nature Machine Intelligence

Explainable Artificial Intelligence (XAI)Computational Drug Discovery Methods

Cited by 1,063

Artificial intelligence in drug discovery: recent advances and future perspectives

Jiménez-Luna, J., Grisoni, F., Weskamp, N., & Schneider, G. (2021) · Expert Opinion on Drug Discovery

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 464

Scalable emulation of protein equilibrium ensembles with generative deep learning

Lewis, S., Hempel, T., Jiménez-Luna, J., Gastegger, M., Xie, Y., Foong, A. Y. K., Satorras, V. G., Abdin, O., Veeling, B. S., Zaporozhets, I., et al. (2025) · Science

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 390

Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment

Jiménez-Luna, J., Skalic, M., Weskamp, N., & Schneider, G. (2021) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsExplainable Artificial Intelligence (XAI)

Cited by 96