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Josep Arús‐Pous

Observed names: Arus Pous, Josep, Arus-Pous, Josep, Arús-Pous, Josep, Arús-Pous, Josep, Arús‐Pous, Josep, Josep Arus-Pous, Josep Arús-Pous, Josep Arús-Pous
ORCID: 0000-0002-9860-2944
Observed ORCID: 0000-0002-9860-2944
OpenAlex ID: A5025373665
REINVENT 2.0: An AI Tool for De Novo Drug Design
2020 · Thomas Blaschke, Josep Arús-Pous, et al. · Journal of Chemical Information and Modeling · 497
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A de novo molecular generation method using latent vector based generative adversarial network
2019 · Oleksii Prykhodko, Simon Viet Johansson, et al. · Journal of Cheminformatics · 405
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Randomized SMILES strings improve the quality of molecular generative models
2019 · Josep Arús-Pous, Simon Viet Johansson, et al. · Journal of Cheminformatics · 392
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Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks
2020 · Panagiotis-Christos Kotsias, Josep Arús-Pous, et al. · Nature Machine Intelligence · 236
SMILES-based deep generative scaffold decorator for de-novo drug design
2020 · Josep Arús-Pous, Atanas Patronov, et al. · Journal of Cheminformatics · 204
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Exploring the GDB-13 chemical space using deep generative models
2019 · Josep Arús-Pous, Thomas Blaschke, et al. · Journal of Cheminformatics · 195
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Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research
2019 · Laurianne David, Josep Arús-Pous, et al. · Frontiers in Pharmacology · 58
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Chemical Space: Big Data Challenge for Molecular Diversity
2017 · Mahendra Awale, Ricardo Visini, et al. · CHIMIA International Journal for Chemistry · 57
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Virtual Exploration of the Ring Systems Chemical Universe
2017 · Ricardo Visini, Josep Arús-Pous, et al. · Journal of Chemical Information and Modeling · 46
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Exploring Chemical Space with Machine Learning
2019 · Josep Arús-Pous, Mahendra Awale, et al. · CHIMIA International Journal for Chemistry · 35
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The Generated Databases (GDBs) as a Source of 3D-shaped Building Blocks for Use in Medicinal Chemistry and Drug Discovery
2020 · Kris Meier, Sven Bühlmann, et al. · CHIMIA International Journal for Chemistry · 25
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SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design
2020 · Josep Arús-Pous, Atanas Patronov, et al. · ChemRxiv · 25
A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space
2020 · Kris Meier, Josep Arús‐Pous, et al. · Angewandte Chemie International Edition · 21
Exploring the GDB-13 Chemical Space Using Deep Generative Models
2018 · Josep Arús-Pous, Thomas Blaschke, et al. · ChemRxiv · 18
Exploring Simple Drug Scaffolds from the Generated Database Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology
2025 · Aline Carrel, Adonis Yiannakas, et al. · Journal of Medicinal Chemistry · 13
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Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)
2019 · Panagiotis-Christos Kotsias, Josep Arús-Pous, et al. · ChemRxiv · 8
Deep Learning Invades Drug Design and Synthesis
2018 · Josep Arús-Pous, Daniel Probst, et al. · CHIMIA International Journal for Chemistry · 5
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A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D‐Shaped Triquinazine Ring System from Chemical Space
2020 · Kris Meier, Josep Arús‐Pous, et al. · Angewandte Chemie · 4
Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research
2019 · Laurianne, David, Arús-Pous, Josep, et al. · Zenodo (CERN European Organization for Nuclear Research) · 4
Improving Deep Generative Models with Randomized SMILES
2019 · Josep Arús-Pous, Simon Johansson, et al. · Lecture notes in computer science · 3
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Chapter 13. Molecular De Novo Design Through Deep Generative Models
2020 · Ola Engkvist, Josep Arús-Pous, et al. · RSC drug discovery/RSC drug discovery series · 2
Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)
2019 · Panagiotis-Christos Kotsias, Josep Arús-Pous, et al. · ChemRxiv · 2
Comparison Between SMILES-Based Differential Neural Computer and Recurrent Neural Network Architectures for De Novo Molecule Design
2019 · Simon Viet Johansson, Oleksii Prykhodko, et al. · ChemRxiv · 2
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Randomized SMILES Strings Improve the Quality of Molecular Generative Models
2019 · Josep Arús-Pous, Simon Johansson, et al. · ChemRxiv · 2
SurvSurf: a partially monotonic neural network for first-hitting time prediction of intermittently observed discrete and continuous sequential events
2026 · Yichen Kelly Chen, Sören Dittmer, et al. · RSS Data Science and Artificial Intelligence · 1
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Works count: 52
Citation count: 2,261
H-index: 14
I10-index: 15
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