Josep Arús-Pous

Josep Arús-Pous

Roche - Basel / Switzerland
Engineering & Technology / Computer Science
AD Scientific Index ID: 4398774
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person_outline Josep Arús-Pous's MOST POPULAR ARTICLES
1-) REINVENT 2.0: an AI tool for de novo drug designT Blaschke, J Arús-Pous, H Chen, C Margreitter, C Tyrchan, O Engkvist, ...Journal of chemical information and modeling 60 (12), 5918-5922, 20203392020
2-) A de novo molecular generation method using latent vector based generative adversarial networkO Prykhodko, SV Johansson, PC Kotsias, J Arús-Pous, EJ Bjerrum, ...Journal of Cheminformatics 11, 1-13, 20193342019
3-) Randomized SMILES strings improve the quality of molecular generative modelsJ Arús-Pous, SV Johansson, O Prykhodko, EJ Bjerrum, C Tyrchan, ...Journal of cheminformatics 11, 1-13, 20192712019
4-) Direct steering of de novo molecular generation with descriptor conditional recurrent neural networksPC Kotsias, J Arús-Pous, H Chen, O Engkvist, C Tyrchan, EJ BjerrumNature Machine Intelligence 2 (5), 254-265, 20201962020
5-) Exploring the GDB-13 chemical space using deep generative modelsJ Arús-Pous, T Blaschke, S Ulander, JL Reymond, H Chen, O EngkvistJournal of cheminformatics 11, 1-14, 20191712019