Tkachenko V - Search Results

1

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining.

Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. Hettne KM, et al. Among authors: tkachenko v. J Cheminform. 2010 Mar 23;2(1):3. doi: 10.1186/1758-2946-2-3. J Cheminform. 2010. PMID: 20331846 Free PMC article.

2

Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining.

Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. Hettne KM, et al. Among authors: tkachenko v. J Cheminform. 2010 Jun 3;2(1):4. doi: 10.1186/1758-2946-2-4. J Cheminform. 2010. PMID: 20525267 Free PMC article. No abstract available.

3

Identification of "known unknowns" utilizing accurate mass data and ChemSpider.

Little JL, Williams AJ, Pshenichnov A, Tkachenko V. Little JL, et al. Among authors: tkachenko v. J Am Soc Mass Spectrom. 2012 Jan;23(1):179-85. doi: 10.1007/s13361-011-0265-y. Epub 2011 Nov 2. J Am Soc Mass Spectrom. 2012. PMID: 22069037

4

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation.

Williams AJ, Ekins S, Tkachenko V. Williams AJ, et al. Among authors: tkachenko v. Drug Discov Today. 2012 Jul;17(13-14):685-701. doi: 10.1016/j.drudis.2012.02.013. Epub 2012 Mar 8. Drug Discov Today. 2012. PMID: 22426180 Review.

5

The ChEMBL database as linked open data.

Willighagen EL, Waagmeester A, Spjuth O, Ansell P, Williams AJ, Tkachenko V, Hastings J, Chen B, Wild DJ. Willighagen EL, et al. Among authors: tkachenko v. J Cheminform. 2013 May 8;5(1):23. doi: 10.1186/1758-2946-5-23. J Cheminform. 2013. PMID: 23657106 Free PMC article.

6

The Royal Society of Chemistry and the delivery of chemistry data repositories for the community.

Williams A, Tkachenko V. Williams A, et al. Among authors: tkachenko v. J Comput Aided Mol Des. 2014 Oct;28(10):1023-30. doi: 10.1007/s10822-014-9784-5. Epub 2014 Aug 3. J Comput Aided Mol Des. 2014. PMID: 25086851

7

The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets.

Karapetyan K, Batchelor C, Sharpe D, Tkachenko V, Williams AJ. Karapetyan K, et al. Among authors: tkachenko v. J Cheminform. 2015 Jun 19;7:30. doi: 10.1186/s13321-015-0072-8. eCollection 2015. J Cheminform. 2015. PMID: 26155308 Free PMC article.

8

Programmatic conversion of crystal structures into 3D printable files using Jmol.

Scalfani VF, Williams AJ, Tkachenko V, Karapetyan K, Pshenichnov A, Hanson RM, Liddie JM, Bara JE. Scalfani VF, et al. Among authors: tkachenko v. J Cheminform. 2016 Nov 23;8:66. doi: 10.1186/s13321-016-0181-z. eCollection 2016. J Cheminform. 2016. PMID: 27933103 Free PMC article.

9

Open-source QSAR models for pKa prediction using multiple machine learning approaches.

Mansouri K, Cariello NF, Korotcov A, Tkachenko V, Grulke CM, Sprankle CS, Allen D, Casey WM, Kleinstreuer NC, Williams AJ. Mansouri K, et al. Among authors: tkachenko v. J Cheminform. 2019 Sep 18;11(1):60. doi: 10.1186/s13321-019-0384-1. J Cheminform. 2019. PMID: 33430972 Free PMC article.

10

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.

Mansouri K, Moreira-Filho JT, Lowe CN, Charest N, Martin T, Tkachenko V, Judson R, Conway M, Kleinstreuer NC, Williams AJ. Mansouri K, et al. Among authors: tkachenko v. J Cheminform. 2024 Feb 20;16(1):19. doi: 10.1186/s13321-024-00814-3. J Cheminform. 2024. PMID: 38378618 Free PMC article.

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