Josep Arús‐Pous

REINVENT 2.0: An AI Tool for De Novo Drug Design

Thomas Blaschke, Josep Arús‐Pous, Hongming Chen et al. · Journal of Chemical Information and Modeling · 2020 · 459 citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +7

A de novo molecular generation method using latent vector based generative adversarial network

Oleksii Prykhodko, Simon Johansson, Panagiotis-Christos Kotsias et al. · Journal of Cheminformatics · 2019 · 420 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +14

Randomized SMILES strings improve the quality of molecular generative models

Josep Arús‐Pous, Simon Johansson, Oleksii Prykhodko et al. · Journal of Cheminformatics · 2019 · 409 citations · Full text

Computing, Chemistry, Computational Chemistry +16

Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks

Panagiotis-Christos Kotsias, Josep Arús‐Pous, Hongming Chen et al. · Nature Machine Intelligence · 2020 · 261 citations

Pharmacy, Bioinformatics, Drug Discovery +6

Exploring the GDB-13 chemical space using deep generative models

Josep Arús‐Pous, Thomas Blaschke, Silas Ulander et al. · Journal of Cheminformatics · 2019 · 217 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15