Similar articles for PMID: 29086122

Year	Number of Results
1881	1
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2005	1
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2009	3
2010	2
2011	5
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2016	9
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2020	3
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2024	0

1

Nonpher: computational method for design of hard-to-synthesize structures.

Voršilák M, Svozil D. Voršilák M, et al. J Cheminform. 2017 Mar 20;9(1):20. doi: 10.1186/s13321-017-0206-2. J Cheminform. 2017. PMID: 29086122 Free PMC article.

2

SYBA: Bayesian estimation of synthetic accessibility of organic compounds.

Voršilák M, Kolář M, Čmelo I, Svozil D. Voršilák M, et al. J Cheminform. 2020 May 20;12(1):35. doi: 10.1186/s13321-020-00439-2. J Cheminform. 2020. PMID: 33431015 Free PMC article.

3

Molpher: a software framework for systematic chemical space exploration.

Hoksza D, Skoda P, Voršilák M, Svozil D. Hoksza D, et al. J Cheminform. 2014 Mar 21;6(1):7. doi: 10.1186/1758-2946-6-7. J Cheminform. 2014. PMID: 24655571 Free PMC article.

4

Profiling and analysis of chemical compounds using pointwise mutual information.

Čmelo I, Voršilák M, Svozil D. Čmelo I, et al. J Cheminform. 2021 Jan 10;13(1):3. doi: 10.1186/s13321-020-00483-y. J Cheminform. 2021. PMID: 33423694 Free PMC article.

5

Reliability of Supervised Machine Learning Using Synthetic Data in Health Care: Model to Preserve Privacy for Data Sharing.

Rankin D, Black M, Bond R, Wallace J, Mulvenna M, Epelde G. Rankin D, et al. JMIR Med Inform. 2020 Jul 20;8(7):e18910. doi: 10.2196/18910. JMIR Med Inform. 2020. PMID: 32501278 Free PMC article.

6

Maximizing lipocalin prediction through balanced and diversified training set and decision fusion.

Nath A, Subbiah K. Nath A, et al. Comput Biol Chem. 2015 Dec;59 Pt A:101-10. doi: 10.1016/j.compbiolchem.2015.09.011. Epub 2015 Sep 28. Comput Biol Chem. 2015. PMID: 26433483

7

Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph.

Li B, Chen H. Li B, et al. Molecules. 2022 Feb 3;27(3):1039. doi: 10.3390/molecules27031039. Molecules. 2022. PMID: 35164303 Free PMC article.

8

Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.

Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y. Marrero-Ponce Y, et al. J Chem Inf Model. 2005 Jul-Aug;45(4):1082-100. doi: 10.1021/ci050085t. J Chem Inf Model. 2005. PMID: 16045304

9

Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.

Martins Alho MA, Marrero-Ponce Y, Barigye SJ, Meneses-Marcel A, Machado Tugores Y, Montero-Torres A, Gómez-Barrio A, Nogal JJ, García-Sánchez RN, Vega MC, Rolón M, Martínez-Fernández AR, Escario JA, Pérez-Giménez F, Garcia-Domenech R, Rivera N, Mondragón R, Mondragón M, Ibarra-Velarde F, Lopez-Arencibia A, Martín-Navarro C, Lorenzo-Morales J, Cabrera-Serra MG, Piñero J, Tytgat J, Chicharro R, Arán VJ. Martins Alho MA, et al. Bioorg Med Chem. 2014 Mar 1;22(5):1568-85. doi: 10.1016/j.bmc.2014.01.036. Epub 2014 Jan 31. Bioorg Med Chem. 2014. PMID: 24513185

10

A Random Forest Model for Predicting Allosteric and Functional Sites on Proteins.

Chen AS, Westwood NJ, Brear P, Rogers GW, Mavridis L, Mitchell JB. Chen AS, et al. Mol Inform. 2016 Apr;35(3-4):125-35. doi: 10.1002/minf.201500108. Epub 2016 Jan 21. Mol Inform. 2016. PMID: 27491922

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