Arús-Pous J - Search Results

1

Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research.

David L, Arús-Pous J, Karlsson J, Engkvist O, Bjerrum EJ, Kogej T, Kriegl JM, Beck B, Chen H. David L, et al. Among authors: arus pous j. Front Pharmacol. 2019 Nov 5;10:1303. doi: 10.3389/fphar.2019.01303. eCollection 2019. Front Pharmacol. 2019. PMID: 31749705 Free PMC article. Review.

2

SMILES-based deep generative scaffold decorator for de-novo drug design.

Arús-Pous J, Patronov A, Bjerrum EJ, Tyrchan C, Reymond JL, Chen H, Engkvist O. Arús-Pous J, et al. J Cheminform. 2020 May 29;12(1):38. doi: 10.1186/s13321-020-00441-8. J Cheminform. 2020. PMID: 33431013 Free PMC article.

3

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

Prykhodko O, Johansson SV, Kotsias PC, Arús-Pous J, Bjerrum EJ, Engkvist O, Chen H. Prykhodko O, et al. Among authors: arus pous j. J Cheminform. 2019 Dec 3;11(1):74. doi: 10.1186/s13321-019-0397-9. J Cheminform. 2019. PMID: 33430938 Free PMC article.

4

Exploring the GDB-13 chemical space using deep generative models.

Arús-Pous J, Blaschke T, Ulander S, Reymond JL, Chen H, Engkvist O. Arús-Pous J, et al. J Cheminform. 2019 Mar 12;11(1):20. doi: 10.1186/s13321-019-0341-z. J Cheminform. 2019. PMID: 30868314 Free PMC article.

5

Randomized SMILES strings improve the quality of molecular generative models.

Arús-Pous J, Johansson SV, Prykhodko O, Bjerrum EJ, Tyrchan C, Reymond JL, Chen H, Engkvist O. Arús-Pous J, et al. J Cheminform. 2019 Nov 21;11(1):71. doi: 10.1186/s13321-019-0393-0. J Cheminform. 2019. PMID: 33430971 Free PMC article.

6

REINVENT 2.0: An AI Tool for De Novo Drug Design.

Blaschke T, Arús-Pous J, Chen H, Margreitter C, Tyrchan C, Engkvist O, Papadopoulos K, Patronov A. Blaschke T, et al. Among authors: arus pous j. J Chem Inf Model. 2020 Dec 28;60(12):5918-5922. doi: 10.1021/acs.jcim.0c00915. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33118816

7

Virtual Exploration of the Ring Systems Chemical Universe.

Visini R, Arús-Pous J, Awale M, Reymond JL. Visini R, et al. J Chem Inf Model. 2017 Nov 27;57(11):2707-2718. doi: 10.1021/acs.jcim.7b00457. Epub 2017 Oct 30. J Chem Inf Model. 2017. PMID: 29019686

8

Chemical Space: Big Data Challenge for Molecular Diversity.

Awale M, Visini R, Probst D, Arús-Pous J, Reymond JL. Awale M, et al. Chimia (Aarau). 2017 Oct 25;71(10):661-666. doi: 10.2533/chimia.2017.661. Chimia (Aarau). 2017. PMID: 29070411 Free article. Review.

9

A Potent and Selective Janus Kinase Inhibitor with a Chiral 3D-Shaped Triquinazine Ring System from Chemical Space.

Meier K, Arús-Pous J, Reymond JL. Meier K, et al. Among authors: arus pous j. Angew Chem Int Ed Engl. 2021 Jan 25;60(4):2074-2077. doi: 10.1002/anie.202012049. Epub 2020 Nov 27. Angew Chem Int Ed Engl. 2021. PMID: 32986914

10

Exploring Chemical Space with Machine Learning.

Arús-Pous J, Awale M, Probst D, Reymond JL. Arús-Pous J, et al. Chimia (Aarau). 2019 Dec 18;73(12):1018-1023. doi: 10.2533/chimia.2019.1018. Chimia (Aarau). 2019. PMID: 31883554 Free article.

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