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List of works by José Jiménez Luna

Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment

scientific article published February 25, 2021

DeepSite: Protein binding site predictor using 3D-convolutional neural networks.

scientific article published on 31 May 2017

DeltaDelta neural networks for lead optimization of small molecule potency

scientific article published on 16 October 2019

KDEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks

scientific article published on 8 January 2018

LigVoxel: Inpainting binding pockets using 3D-convolutional neural networks.

scientific article

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

scientific article published on 10 January 2019

PlayMolecule BindScope: large scale CNN-based virtual screening on the web

scientific article published on 01 April 2019

Shape-Based Generative Modeling for de Novo Drug Design

scientific article published on 28 February 2019

pyGPGO: Bayesian Optimization for Python

scientific article published on 02 November 2017

Δ-Quantum machine-learning for medicinal chemistry

scientific article published on 11 May 2022

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