Chen H - Search Results

1

Has Drug Design Augmented by Artificial Intelligence Become a Reality?

Chen H, Engkvist O. Chen H, et al. Trends Pharmacol Sci. 2019 Nov;40(11):806-809. doi: 10.1016/j.tips.2019.09.004. Epub 2019 Oct 16. Trends Pharmacol Sci. 2019. PMID: 31629547

2

Application of Generative Autoencoder in De Novo Molecular Design.

Blaschke T, Olivecrona M, Engkvist O, Bajorath J, Chen H. Blaschke T, et al. Among authors: chen h. Mol Inform. 2018 Jan;37(1-2):1700123. doi: 10.1002/minf.201700123. Epub 2017 Dec 13. Mol Inform. 2018. PMID: 29235269 Free PMC article.

3

The rise of deep learning in drug discovery.

Chen H, Engkvist O, Wang Y, Olivecrona M, Blaschke T. Chen H, et al. Drug Discov Today. 2018 Jun;23(6):1241-1250. doi: 10.1016/j.drudis.2018.01.039. Epub 2018 Jan 31. Drug Discov Today. 2018. PMID: 29366762 Free article. Review.

4

Cheminformatics in Drug Discovery, an Industrial Perspective.

Chen H, Kogej T, Engkvist O. Chen H, et al. Mol Inform. 2018 Sep;37(9-10):e1800041. doi: 10.1002/minf.201800041. Epub 2018 May 18. Mol Inform. 2018. PMID: 29774657 Review.

5

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: chen h. 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

6

AI-assisted synthesis prediction.

Johansson S, Thakkar A, Kogej T, Bjerrum E, Genheden S, Bastys T, Kannas C, Schliep A, Chen H, Engkvist O. Johansson S, et al. Among authors: chen h. Drug Discov Today Technol. 2019 Dec;32-33:65-72. doi: 10.1016/j.ddtec.2020.06.002. Epub 2020 Jul 11. Drug Discov Today Technol. 2019. PMID: 33386096 Review.

7

Investigation of the relationship between topology and selectivity for druglike molecules.

Yang Y, Chen H, Nilsson I, Muresan S, Engkvist O. Yang Y, et al. Among authors: chen h. J Med Chem. 2010 Nov 11;53(21):7709-14. doi: 10.1021/jm1008456. J Med Chem. 2010. PMID: 20942392

8

Combinatorial library design from reagent pharmacophore fingerprints.

Chen H, Engkvist O, Blomberg N. Chen H, et al. Methods Mol Biol. 2011;685:135-52. doi: 10.1007/978-1-60761-931-4_7. Methods Mol Biol. 2011. PMID: 20981522

9

In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms.

Chen H, Winiwarter S, Fridén M, Antonsson M, Engkvist O. Chen H, et al. J Mol Graph Model. 2011 Aug;29(8):985-95. doi: 10.1016/j.jmgm.2011.04.004. Epub 2011 Apr 27. J Mol Graph Model. 2011. PMID: 21571561

10

On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors.

Hansson M, Pemberton J, Engkvist O, Feierberg I, Brive L, Jarvis P, Zander-Balderud L, Chen H. Hansson M, et al. Among authors: chen h. J Biomol Screen. 2014 Jun;19(5):727-37. doi: 10.1177/1087057113499631. Epub 2013 Aug 23. J Biomol Screen. 2014. PMID: 23975880

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