Williams AJ - 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: williams aj. 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: williams aj. 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: williams aj. 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. 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: williams aj. 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 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: williams aj. J Cheminform. 2015 Jun 19;7:30. doi: 10.1186/s13321-015-0072-8. eCollection 2015. J Cheminform. 2015. PMID: 26155308 Free PMC article.

7

Ambiguity of non-systematic chemical identifiers within and between small-molecule databases.

Akhondi SA, Muresan S, Williams AJ, Kors JA. Akhondi SA, et al. Among authors: williams aj. J Cheminform. 2015 Nov 16;7:54. doi: 10.1186/s13321-015-0102-6. eCollection 2015. J Cheminform. 2015. PMID: 26579214 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: williams aj. 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: williams aj. J Cheminform. 2019 Sep 18;11(1):60. doi: 10.1186/s13321-019-0384-1. J Cheminform. 2019. PMID: 33430972 Free PMC article.

10

ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.

Day AE, Coles SJ, Bird CL, Frey JG, Whitby RJ, Tkachenko VE, Williams AJ. Day AE, et al. Among authors: williams aj. J Chem Inf Model. 2015 Mar 23;55(3):501-9. doi: 10.1021/ci5005948. Epub 2015 Feb 25. J Chem Inf Model. 2015. PMID: 25679543

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