Šícho M - Search Results

1

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism.

de Bruyn Kops C, Stork C, Šícho M, Kochev N, Svozil D, Jeliazkova N, Kirchmair J. de Bruyn Kops C, et al. Among authors: sicho m. Front Chem. 2019 Jun 12;7:402. doi: 10.3389/fchem.2019.00402. eCollection 2019. Front Chem. 2019. PMID: 31249827 Free PMC article.

2

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Šícho M, de Bruyn Kops C, Stork C, Svozil D, Kirchmair J. Šícho M, et al. J Chem Inf Model. 2017 Aug 28;57(8):1832-1846. doi: 10.1021/acs.jcim.7b00250. Epub 2017 Aug 7. J Chem Inf Model. 2017. PMID: 28782945 Free article.

3

Hit Dexter: A Machine-Learning Model for the Prediction of Frequent Hitters.

Stork C, Wagner J, Friedrich NO, de Bruyn Kops C, Šícho M, Kirchmair J. Stork C, et al. Among authors: sicho m. ChemMedChem. 2018 Mar 20;13(6):564-571. doi: 10.1002/cmdc.201700673. Epub 2018 Feb 1. ChemMedChem. 2018. PMID: 29285887

4

Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability".

Šícho M, Voršilák M, Svozil D. Šícho M, et al. J Cheminform. 2018 Mar 15;10(1):13. doi: 10.1186/s13321-018-0267-x. J Cheminform. 2018. PMID: 29546531 Free PMC article. No abstract available.

5

Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters.

Stork C, Chen Y, Šícho M, Kirchmair J. Stork C, et al. Among authors: sicho m. J Chem Inf Model. 2019 Mar 25;59(3):1030-1043. doi: 10.1021/acs.jcim.8b00677. Epub 2019 Jan 25. J Chem Inf Model. 2019. PMID: 30624935

6

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.

Šícho M, Stork C, Mazzolari A, de Bruyn Kops C, Pedretti A, Testa B, Vistoli G, Svozil D, Kirchmair J. Šícho M, et al. J Chem Inf Model. 2019 Aug 26;59(8):3400-3412. doi: 10.1021/acs.jcim.9b00376. Epub 2019 Aug 13. J Chem Inf Model. 2019. PMID: 31361490

7

NERDD: a web portal providing access to in silico tools for drug discovery.

Stork C, Embruch G, Šícho M, de Bruyn Kops C, Chen Y, Svozil D, Kirchmair J. Stork C, et al. Among authors: sicho m. Bioinformatics. 2020 Feb 15;36(4):1291-1292. doi: 10.1093/bioinformatics/btz695. Bioinformatics. 2020. PMID: 32077475

8

GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics.

de Bruyn Kops C, Šícho M, Mazzolari A, Kirchmair J. de Bruyn Kops C, et al. Among authors: sicho m. Chem Res Toxicol. 2021 Feb 15;34(2):286-299. doi: 10.1021/acs.chemrestox.0c00224. Epub 2020 Aug 26. Chem Res Toxicol. 2021. PMID: 32786543 Free PMC article.

9

CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes.

Plonka W, Stork C, Šícho M, Kirchmair J. Plonka W, et al. Among authors: sicho m. Bioorg Med Chem. 2021 Sep 15;46:116388. doi: 10.1016/j.bmc.2021.116388. Epub 2021 Aug 28. Bioorg Med Chem. 2021. PMID: 34488021 Free article.

10

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.

Sicho M, Liu X, Svozil D, van Westen GJP. Sicho M, et al. J Cheminform. 2021 Sep 25;13(1):73. doi: 10.1186/s13321-021-00550-y. J Cheminform. 2021. PMID: 34563271 Free PMC article.

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