José Jiménez-Luna

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 9

Top Topics

Data Mining Tools

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Nat. Mach. Intell.

Publications

Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noé, Regina Barzilay, Tommi S. Jaakkola
Improved motif-scaffolding with SE(3) flow matching. Trans. Mach. Learn. Res. 2024 (2024)
Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noé, Regina Barzilay, Tommi S. Jaakkola
Improved motif-scaffolding with SE(3) flow matching. CoRR (2024)
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna
Explaining compound activity predictions with a substructure-aware loss for graph neural networks. J. Cheminformatics 15 (1) (2023)
Riza Özçelik, Derek van Tilborg, José Jiménez-Luna, Francesca Grisoni
Structure-based drug discovery with deep learning. CoRR (2022)
José Jiménez-Luna, Miha Skalic, Nils Weskamp
Benchmarking Molecular Feature Attribution Methods with Activity Cliffs. J. Chem. Inf. Model. 62 (2) (2022)
Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, Stefan Doerr, Nikolai Schapin, José Jiménez-Luna, Gianni De Fabritiis
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks. J. Chem. Inf. Model. 62 (2) (2022)
José Jiménez-Luna, Miha Skalic, Nils Weskamp, Gisbert Schneider
Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment. J. Chem. Inf. Model. 61 (3) (2021)
José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider
Drug discovery with explainable artificial intelligence. CoRR (2020)
José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider
Drug discovery with explainable artificial intelligence. Nat. Mach. Intell. 2 (10) (2020)